SCHEMBL4047936

SCHEMBL4047936

NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 5/20 0.39
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
PAX8 Q06710 1/20 0.36
GPR132 Q9UNW8 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35

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
SCHEMBL4039940 0.95 PARP1 (0.39) C3AR1TNKSPARP1PARP2PARP4
SCHEMBL4047662 0.86 CTSK (0.41) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4039947 0.86 TNKS (0.38) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4044640 0.85 DPP4 (0.41) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4043491 0.84 DPP4 (0.48) OPRM1
SCHEMBL4041446 0.84 FKBP1A (0.39)
SCHEMBL4040172 0.83 DPP4 (0.43) C3AR1TNKSPARP1PARP2PARP4
SCHEMBL4043197 0.83 CTSS (0.43) C3AR1ALDH1A1CTSLCTSS
SCHEMBL4039215 0.83 DPP4 (0.39) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4043904 0.82 DPP4 (0.44) C3AR1KDM4EPOLBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS C3AR1 343/4885TNKS 4485/4885PARP1 4400/4885

“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.