SCHEMBL966486

SCHEMBL966486

COC(=O)CC1CCC2(CC1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP2C19 P33261 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
C5AR1 P21730 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL169393 0.83 ALDH1A1 (0.42) GPR119ALDH1A1CYP2C19KMT2AMAPK1
SCHEMBL31412806 0.82 GPR119 (0.37) GPR119ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL10000024 0.82 GPR119 (0.39) GPR119ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL12467313 0.82 GPR119 (0.39) GPR119ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL2718873 0.81 MMP13 (0.36) BRD4ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL2718874 0.81 MMP13 (0.36) BRD4ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL1837169 0.78 BRD4 (0.42) BRD4ALDH1A1KMT2ALMNAMGAM
SCHEMBL2450101 0.78 FFAR4 (0.39) GPR119ALDH1A1MAPK1LMNAMAPT
SCHEMBL21987643 0.78 ALDH1A1 (0.40) GPR119ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL14235046 0.77 BRD4 (0.36) BRD4ALDH1A1CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708121-A Amide compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2025-03-28 CN disclosed
US-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES Westlake University (CN) 2024-03-28 US disclosed
EP-2162429-B1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2016-04-13 EP disclosed
US-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 WO disclosed
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ALLERGAN, INC. 2008-03-20 US disclosed
US-7345077-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2008-03-18 US disclosed
US-7345077-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4- (substituted cycloalkylmethyl) imidazol-2-ones and 4- (substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2008-03-18 US disclosed
US-7323485-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2008-01-29 US disclosed
US-7323485-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2008-01-29 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ALLERGAN, INC. 2007-03-29 US disclosed
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ALLERGAN, INC. 2007-03-29 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 (4 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-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES AIFM2, GPX1, GPX4 GPR119 945/4885BRD4 1173/4885ALDH1A1 337/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 GPR119 279/4885BRD4 660/4885ALDH1A1 2569/4885
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ADRB2, ADRA2C, ADRA2B GPR119 206/4885BRD4 749/4885ALDH1A1 340/4885
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ADRA2A, ADRA2B, ADRB2 GPR119 132/4885BRD4 2452/4885ALDH1A1 485/4885

“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.