SCHEMBL2012060

SCHEMBL2012060

COC(=O)COc1ccc(C(=O)CN)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
PTGS2 P35354 2/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAOB P27338 1/20 0.47
AOC3 Q16853 1/20 0.47

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
Hydrochloric Acid SCHEMBL11657223 0.98 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL11109551 0.85 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7333688 0.85 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL2010751 0.84 GAA (0.59) MAPTNPC1POLBGAAL3MBTL1
SCHEMBL2116437 0.84 PTGS2 (0.66) MAPTSMN1; SMN2POLBPTGS2GAA
SCHEMBL11663173 0.83 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2009866 0.83 GSK3B (0.64) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL11655930 0.83 PTGS2 (0.55) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8770195 0.83 POLB (0.70) MAPTPOLBPTGS2GAAKMT2A
SCHEMBL2009719 0.83 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4105790-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 US claimed
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed
US-4645771-A ANTICOAGULANT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-24 US disclosed
EP-0004727-B1 BLOOD PLATELET AGGREGATION INHIBITORY PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-12 EP disclosed
US-4267183-A Tetrahydropyridine derivative IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-12 US disclosed
EP-0004726-B1 BLOOD PLATELET AGGREGATION INHIBITORY TETRAHYDROPYRIDINE DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND PROCESSES FOR ITS MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
US-4225602-A Tetrahydropyridine derivative useful for inhibiting blood platelet aggregation IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-30 US disclosed
EP-0004726-A1 Blood platelet aggregation inhibitory tetrahydropyridine derivative, pharmaceutical compositions thereof and processes for its manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-17 EP disclosed
EP-0004727-A2 Blood platelet aggregation inhibitory pyridine derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-17 EP disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4105790-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 US disclosed
US-4105790-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 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 (2 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 MAPT 4727/4885NPC1 4226/4885RAB9A 2816/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 MAPT 4727/4885NPC1 4226/4885RAB9A 2816/4885

“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.