SCHEMBL353050

SCHEMBL353050

CC1(c2ccccc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC18A3 Q16572 1/20 0.45
DPP4 P27487 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL43078 0.95 DPP4 (0.46) OPRL1OPRM1OPRK1SLC18A3DPP4
SCHEMBL2387990 0.92 SLC6A4 (0.48) OPRM1DPP4SLC6A4SLC6A2SLC6A3
Hydrogen Peroxide SCHEMBL9938277 0.92 AKR1C1 (0.50) OPRL1OPRM1OPRK1SLC18A3DPP4
SCHEMBL19382448 0.92 SLC6A4 (0.48) OPRM1DPP4SLC6A4SLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL20553594 0.92 DPP4 (0.45) OPRL1OPRM1OPRK1SLC18A3DPP4
SCHEMBL498014 0.89 OPRM1 (0.50) OPRL1OPRM1OPRK1
Ammonia Solution, Strong SCHEMBL9556021 0.86 OPRM1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL14704743 0.81 OPRM1 (0.53) OPRM1SLC18A3SLC6A4
SCHEMBL10990510 0.81 AKR1C1 (0.41) AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL27445717 0.80 OPRM1 (0.43) OPRL1OPRM1OPRK1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US claimed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP claimed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP claimed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO claimed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO claimed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 US disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
CN-103391939-B As the purine be substituted and the 7-azapurine compound of epigenetic enzyme conditioning agent Epizyme, Inc. (US) 2016-03-09 CN disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO disclosed
US-4570011-A PYROLYSIS OF AN ORTHO ALKYL HALOMETHYL AROMATIC HYDROCARBON IN AN INERT THE DOW CHEMICAL COMPANY (US) 1986-02-11 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 (7 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 OPRL1 4261/4885OPRM1 3439/4885OPRK1 4056/4885
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL OPRL1 3896/4885OPRM1 3274/4885OPRK1 3654/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK OPRL1 4442/4885OPRM1 4286/4885OPRK1 3112/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB OPRL1 3493/4885OPRM1 4737/4885OPRK1 3566/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 OPRL1 4261/4885OPRM1 3439/4885OPRK1 4056/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 OPRL1 4261/4885OPRM1 3439/4885OPRK1 4056/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 OPRL1 4261/4885OPRM1 3439/4885OPRK1 4056/4885

“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.