SCHEMBL5032385

SCHEMBL5032385

CCOC(=O)CCN1CCNCC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.41
KAT2B Q92831 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.37
TNF P01375 3/20 0.36
FKBP1A P62942 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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 SCHEMBL4123134 0.99 TSHR (0.43) TSHRLMNAKAT2BL3MBTL1ALOX15
SCHEMBL853682 0.85 GSK3B (0.42) TSHRL3MBTL1ALOX15KMT2AALDH1A1
SCHEMBL8381615 0.85 SMN1; SMN2 (0.38) TSHRKAT2BALDH1A1RAB9A
Hydrochloric Acid SCHEMBL4133179 0.84 GSK3A (0.41) TSHRLMNAL3MBTL1ALOX15KMT2A
SCHEMBL26097101 0.80 TSHR (0.54) TSHRLMNAKAT2BL3MBTL1KMT2A
SCHEMBL7068440 0.80 KAT2B (0.43) TSHRLMNAKAT2BL3MBTL1ALOX15
SCHEMBL8384325 0.79 GAA (0.44) LMNAL3MBTL1KMT2AALDH1A1FKBP1A
SCHEMBL5452980 0.78 KDM4E (0.38) TSHRL3MBTL1ALOX15KMT2AALDH1A1
SCHEMBL15522924 0.78 NOTUM (0.50) L3MBTL1KMT2AALDH1A1POLB
SCHEMBL10648648 0.77 KMT2A (0.48) TSHRLMNAKAT2BL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
CN-1886376-A Pyridine compounds as dipeptidyl dipeptidase-IV inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-12-27 CN disclosed
EP-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 EP disclosed
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 US disclosed
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed
EP-1224186-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2002-07-24 EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 WO disclosed
CN-1056141-C Piperazine derivatives MERCK PATENT GESELLSCHAFTR MIT (DE) 2000-09-06 CN disclosed
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP 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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB TSHR 1147/4885LMNA 2449/4885KAT2B 4108/4885

“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.