SCHEMBL6832498

SCHEMBL6832498

C1CCC(CCCC2CCCC3CCCCC32)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
SIGMAR1 Q99720 3/20 0.41
CYP2D6 P10635 1/20 0.36
OPRK1 P41145 2/20 0.32
CEL P19835 2/20 0.32
SLC18A3 Q16572 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL2996217 0.96 SIGMAR1 (0.45) CYP1A2SIGMAR1CYP2D6OPRK1CEL
SCHEMBL10748317 0.88 CYP1A2 (0.38) CYP1A2SIGMAR1CYP2D6
SCHEMBL28339122 0.78 CYP1A2 (0.50) CYP1A2SIGMAR1CYP2D6
SCHEMBL2688034 0.78 CYP1A2 (0.45) CYP1A2CYP2D6
SCHEMBL8080519 0.78 CYP1A2 (0.65) CYP1A2SIGMAR1CELSLC18A3EPHX1
SCHEMBL8852810 0.77 CYP1A2 (0.39) CYP1A2CYP2D6
SCHEMBL30342933 0.76 CYP1A2 (0.42) CYP1A2SIGMAR1CYP2D6EPHX1
SCHEMBL29336691 0.76 SIGMAR1 (0.50) CYP1A2SIGMAR1CYP2D6
SCHEMBL4969658 0.75 CYP1A2 (0.68) CYP1A2SIGMAR1CELSLC18A3EPHX1
SCHEMBL10579794 0.75 CYP1A2 (0.68) CYP1A2SIGMAR1CELSLC18A3EPHX1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753409-B1 FOR TREATMENT OF MYOCARDIAL INFARCTION, STROKE, PERIPHERAL ARTERIAL DISEASE AND DISSEMINATED INTRAVASCULAR COAGULATION AVENTIS PHARMACEUTICALS INC. 2004-06-22 US disclosed
US-20020002268-A1 Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides AVENTIS PHARMACEUTICALS INC. 2002-01-03 US disclosed
EP-0929572-A4 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES AVENTIS PHARM PROD INC (US) 2001-09-12 EP disclosed
US-6274705-B1 INHIBIT PLATELET AGGREGATION AND THROMBUS FORMATION, USEFUL IN PREVENTION AND TREATMENT OF THROMBOSIS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-14 US disclosed
EP-0812205-B1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE POULENC RORER PHARMA (US) 2001-03-14 EP disclosed
EP-0923553-A4 STABLE NON-HYGROSCOPIC CRYSTALLINE FORM OF N- N-N-(4-(PIPERIDIN-4-YL)BUTANOYL)-N-ETHYLGLYCYL] COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-12-08 EP disclosed
EP-0929572-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-21 EP disclosed
EP-0923553-A1 STABLE NON-HYGROSCOPIC CRYSTALLINE FORM OF N- N-N-(4-(PIPERIDIN-4-YL)BUTANOYL)-N-ETHYLGLYCYL] COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-06-23 EP disclosed
US-5866685-A Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-02-02 US disclosed
US-5780590-A Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-14 US disclosed
WO-1998017678-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-04-30 WO disclosed
WO-1998007696-A1 STABLE NON-HYGROSCOPIC CRYSTALLINE FORM OF N-[N-N-(4-(PIPERIDIN-4-YL)BUTANOYL)-N-ETHYLGLYCYL] COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-26 WO 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 (1 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-20020002268-A1 Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides PLAT, SELP, PIGS CYP1A2 4294/4885SIGMAR1 4705/4885CYP2D6 3323/4885

“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.