SCHEMBL10244962

SCHEMBL10244962

COc1cccc(CCC(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
CHRM2 P08172 3/20 0.59
CHRM1 P11229 3/20 0.59
CHRM3 P20309 3/20 0.59
SIGMAR1 Q99720 1/20 0.56
AOC3 Q16853 1/20 0.56
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
TMEM97 Q5BJF2 1/20 0.50
GRM2 Q14416 1/20 0.49
GRM3 Q14832 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12933285 0.89 CHRM2 (0.59) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL10442188 0.86 TAAR1 (0.64) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL12384164 0.84 TAAR1 (0.57) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL30080050 0.84 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL723511 0.84 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL17660560 0.84 PPARG (0.44) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL30500298 0.83 TAAR1 (0.44) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL13873033 0.82 CHRM2 (0.52) TAAR1CHRM2CHRM1CHRM3
SCHEMBL17523545 0.82 CYP4F2 (0.42) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL2600046 0.82 KDM4E (0.48)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-04-23 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TAAR1 77/4885CHRM2 30/4885CHRM1 32/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 TAAR1 4371/4885CHRM2 4092/4885CHRM1 4106/4885
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity ALOX12, ALOX15B, ALOX5 TAAR1 1230/4885CHRM2 1478/4885CHRM1 1904/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 TAAR1 3303/4885CHRM2 4658/4885CHRM1 4321/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 TAAR1 2280/4885CHRM2 529/4885CHRM1 876/4885
US-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 TAAR1 2354/4885CHRM2 1242/4885CHRM1 2285/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 TAAR1 3699/4885CHRM2 4708/4885CHRM1 4749/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 TAAR1 3699/4885CHRM2 4708/4885CHRM1 4749/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TAAR1 4425/4885CHRM2 4854/4885CHRM1 4863/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TAAR1 4425/4885CHRM2 4854/4885CHRM1 4863/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS TAAR1 4425/4885CHRM2 4854/4885CHRM1 4863/4885
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels TRPV1, TRPA1, TRPV2 TAAR1 2896/4885CHRM2 647/4885CHRM1 1026/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 TAAR1 188/4885CHRM2 97/4885CHRM1 54/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.