SCHEMBL1504157

SCHEMBL1504157

CN(C)C(=O)[C@H]1CCCC(N(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAOB P27338 3/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 3/20 0.40
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
METTL3 Q86U44 1/20 0.39
MAOA P21397 1/20 0.38
F10 P00742 2/20 0.37
ACHE P22303 4/20 0.36

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
SCHEMBL4261294 0.88 MAOB (0.39) ALDH1A1MAOBMAPTTHRBMCHR1
SCHEMBL1504154 0.78 F10 (0.52) ALDH1A1MAOBMAPTTHRBMCHR1
SCHEMBL1503895 0.76 F10 (0.48) F10
SCHEMBL6362946 0.75 F10 (0.44) ALDH1A1MAOBMAPTTHRBMCHR1
SCHEMBL2186646 0.75 F10 (0.48) ALDH1A1MAPTSMN1; SMN2F10
SCHEMBL2186635 0.75 F10 (0.48) ALDH1A1MAPTSMN1; SMN2F10
SCHEMBL1504044 0.73 F10 (0.48) F10
SCHEMBL1503944 0.73 F10 (0.48) F10
SCHEMBL1504174 0.72 F10 (0.42) F10
SCHEMBL1503902 0.72 F10 (0.48) MAOBF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 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-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 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 (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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 ALDH1A1 793/4885MAOB 161/4885MAPT 4302/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885MAOB 2147/4885MAPT 4271/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALDH1A1 3319/4885MAOB 2147/4885MAPT 4271/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885MAOB 2147/4885MAPT 4271/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALDH1A1 3529/4885MAOB 2668/4885MAPT 4343/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ALDH1A1 793/4885MAOB 161/4885MAPT 4302/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885MAOB 2497/4885MAPT 4230/4885

“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.