SCHEMBL1504080

SCHEMBL1504080

CC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)[C@H](NC(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
CPB1 P15086 2/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
DPP4 P27487 3/20 0.47
KCNH2 Q12809 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
TSHR P16473 1/20 0.46
CTSS P25774 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL1503863 1.00 CTSK (0.50) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL210039 0.89 PDE4B (0.49) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL4268253 0.89 PDE4B (0.49) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL4263739 0.89 PDE4B (0.49) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL27621590 0.85 PDE4B (0.48) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL3089182 0.80 CTSK (0.45) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL2941384 0.80 CTSK (0.45) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL30599840 0.80 DPP4 (0.53) CTSKCPB1CTSLCTSBALDH1A1
SCHEMBL207775 0.80 PDE4B (0.53) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL210509 0.79 PDE4B (0.47) CTSKCPB1CTSLCTSBHSD11B1

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
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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 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 (6 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 CTSK 1188/4885CPB1 136/4885CTSL 1522/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CTSK 4247/4885CPB1 3108/4885CTSL 2437/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R CTSK 4247/4885CPB1 3108/4885CTSL 2437/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CTSK 4247/4885CPB1 3108/4885CTSL 2437/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CTSK 1188/4885CPB1 136/4885CTSL 1522/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CTSK 4313/4885CPB1 3433/4885CTSL 2420/4885

“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.