SCHEMBL4361235

SCHEMBL4361235

O=C(O)NC1CC=CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
CPB1 P15086 2/20 0.53
TSHR P16473 1/20 0.52
NAAA Q02083 1/20 0.49
EPHX1 P07099 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TLR4 O00206 1/20 0.46

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
SCHEMBL4361233 1.00 ALDH1A1 (0.55) ALDH1A1GAACPB1TSHRNAAA
SCHEMBL4361230 1.00 ALDH1A1 (0.55) ALDH1A1GAACPB1TSHRNAAA
SCHEMBL4261374 0.95 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHRNAAA
SCHEMBL4083202 0.95 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHRNAAA
SCHEMBL4261378 0.95 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHRNAAA
SCHEMBL12035380 0.90 CPB1 (0.55) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL3744086 0.86 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL6182604 0.86 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL417696 0.86 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL7114434 0.86 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 ALDH1A1 793/4885GAA 2113/4885CPB1 136/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885GAA 4788/4885CPB1 3108/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALDH1A1 3319/4885GAA 4788/4885CPB1 3108/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885GAA 4829/4885CPB1 3433/4885

“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.