SCHEMBL10064800

SCHEMBL10064800

CC(C)(C)c1cccc(OC(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD1 P21728 1/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SOD1 P00441 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CETP P11597 1/20 0.39

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
SCHEMBL19240345 0.87 ACHE (0.49) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL20288428 0.85 ACHE (0.47) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL7807816 0.82 ACHE (0.47) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL30605888 0.82 NPSR1 (0.57) DRD1LMNANPSR1HTTMEN1
SCHEMBL12247693 0.81 CETP (0.54) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL102298 0.78 KIF11 (0.49) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL12163571 0.78 CYP3A4 (0.45) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL13649193 0.78 CYP3A4 (0.47) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL18118971 0.77 CYP3A4 (0.59) ACHECYP3A4CYP2C9CYP2C19LMNA
SCHEMBL28407343 0.77 CYP3A4 (0.50) ACHECYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN RESEARCH & DEVELOPMENT, LLC 2022-12-22 US disclosed
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-11518746-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-12-06 US disclosed
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 US disclosed
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US disclosed
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-20090275620-A1 SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZOL-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275620-A1 SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZOL-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (15 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 ACHE 2784/4885CYP3A4 819/4885CYP2C9 2239/4885
US-20090275620-A1 SUBSTITUTED 5- PHENYLAMINO- 1, 3, 4-OXADIAZOL-2-YLCARBONYLAMINO-4-PHENOXY-CYCLOHEXANE CARBOXYLIC ACID AS INHIBITORS OF ACETYL COENZYME A DIACYLGLYCEROL ACYLTRANSFERASE ACAT2, ACAT1, DGAT1 ACHE 1518/4885CYP3A4 1599/4885CYP2C9 1529/4885
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C ACHE 3737/4885CYP3A4 1083/4885CYP2C9 2087/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 ACHE 4370/4885CYP3A4 133/4885CYP2C9 646/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 ACHE 4072/4885CYP3A4 878/4885CYP2C9 1740/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 ACHE 2271/4885CYP3A4 4362/4885CYP2C9 4598/4885
US-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD ACHE 3237/4885CYP3A4 2349/4885CYP2C9 3204/4885
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 ACHE 4370/4885CYP3A4 133/4885CYP2C9 646/4885
US-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT ACHE 2490/4885CYP3A4 3048/4885CYP2C9 3318/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 ACHE 4370/4885CYP3A4 133/4885CYP2C9 646/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C ACHE 3737/4885CYP3A4 1083/4885CYP2C9 2087/4885
US-11518746-B2 Nitrogen ring linked deoxyuridine triphosphatase inhibitors DUT, DPYD, TYMP ACHE 3311/4885CYP3A4 2959/4885CYP2C9 3004/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ACHE 3872/4885CYP3A4 544/4885CYP2C9 285/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT ACHE 3439/4885CYP3A4 2202/4885CYP2C9 2608/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ACHE 4834/4885CYP3A4 1863/4885CYP2C9 3796/4885

“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.