SCHEMBL1597975

SCHEMBL1597975

c1ccc2c(c1)CCNC2c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.69
PRCP P42785 6/20 0.65
GAA P10253 1/20 0.63
GID4 Q8IVV7 1/20 0.61
RECQL P46063 1/20 0.58
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL3061922 0.79 PRCP (0.69) KDM1APRCPGAAGID4RECQL
SCHEMBL29924610 0.79 PRCP (0.69) KDM1APRCPGAAGID4RECQL
SCHEMBL30721685 0.79 PRCP (1.00) KDM1APRCPGAAGID4RECQL
SCHEMBL29478499 0.79 PRCP (1.00) KDM1APRCPGAAGID4RECQL
SCHEMBL1668148 0.79 PRCP (1.00) KDM1APRCPGAAGID4RECQL
SCHEMBL325083 0.79 PRCP (1.00) KDM1APRCPGAAGID4RECQL
SCHEMBL327233 0.79 PRCP (1.00) KDM1APRCPGAAGID4RECQL
SCHEMBL12046710 0.79 PRCP (1.00) KDM1APRCPGAAGID4RECQL
SCHEMBL22728965 0.79 PRCP (0.58) KDM1APRCPGAAGID4RECQL
SCHEMBL1694844 0.78 PRCP (0.96) KDM1APRCPGAAGID4RECQL

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4818726-B2 2011-11-16 JP claimed
CN-101553244-A Treatment for intimal hyperplasia and related conditions PROMICS PTY LTD (AU) 2009-10-07 CN claimed
EP-1496929-A4 USE OF C5A RECEPTOR ANTAGONIST IN THE TREATMENT OF FIBROSIS PROMICS PTY LTD (AU) 2009-08-26 EP claimed
EP-1558277-A4 TREATMENT OF INFLAMMATORY BOWEL DISEASE PROMICS PTY LTD (AU) 2009-07-29 EP claimed
EP-2049141-A1 TREATMENT FOR INTIMAL HYPERPLASIA AND RELATED CONDITIONS Promics Pty.,Ltd. (AU) 2009-04-22 EP claimed
US-20080058252-A1 Use of C5A receptor antagonist in the treatment of fibrosis PROMICS PTY LIMITED (AU) 2008-03-06 US claimed
WO-2008009062-A1 TREATMENT FOR INTIMAL HYPERPLASIA AND RELATED CONDITIONS PROMICS PTY LTD (AU) 2008-01-24 WO claimed
US-20070054841-A1 Method of treatment of systemic injury secondary to burns THE UNIVERSITY OF QUEENSLAND (AU) 2007-03-08 US claimed
US-20070021329-A1 Treatment of hypersensitivity conditions THE UNIVERSITY OF QUEENSLAND (AU) 2007-01-25 US claimed
EP-1734981-A1 TREATMENT OF NEUROLOGICAL CONDITIONS USING COMPLEMENT C5a RECEPTOR MODULATORS Promics Pty Limited (AU) 2006-12-27 EP claimed
CN-1604909-A Cyclic peptides as G protein-coupled receptor antagonists UNIV QUEENSLAND (AU) 2005-04-06 CN claimed
EP-1496929-A1 USE OF C5A RECEPTOR ANTAGONIST IN THE TREATMENT OF FIBROSIS Promics Pty Limited (AU) 2005-01-19 EP claimed
WO-2004103392-A1 METHOD OF TREATMENT OF SYSTEMIC INJURY SECONDARY TO BURNS THE UNIVERSITY OF QUEENSLAND (AU) 2004-12-02 WO claimed
WO-2004100975-A1 TREATMENT OF HAEMORRHAGIC SHOCK USING COMPLEMENT 5a RECEPTOR INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2004-11-25 WO claimed
EP-1444251-A1 CYCLIC PEPTIDES AS G-PROTEIN-COUPLED RECEPTOR ANTAGONISTS University of Queensland (AU) 2004-08-11 EP claimed
WO-2004035080-A1 TREATMENT OF HYPERSENSITIVITY CONDITIONS THE UNIVERSITY OF QUEENSLAND (AU) 2004-04-29 WO claimed
WO-2004035078-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE THE UNIVERSITY OF QUEENSLAND (AU) 2004-04-29 WO claimed
WO-2004035079-A1 TREATMENT OF OSTEOARTHRITIS THE UNIVERSITY OF QUEENSLAND (AU) 2004-04-29 WO claimed
WO-2003086448-A1 USE OF C5A RECEPTOR ANTAGONIST IN THE TREATMENT OF FIBROSIS PROMICS PTY LIMITED (AU) 2003-10-23 WO claimed
WO-2003033528-A1 CYCLIC PEPTIDES AS G-PROTEIN-COUPLED RECEPTOR ANTAGONISTS UNIVERSITY OF QUEENSLAND (AU) 2003-04-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070021329-A1 Treatment of hypersensitivity conditions C3AR1, C5AR1, C5AR2 KDM1A 4261/4885PRCP 731/4885GAA 2883/4885
US-20080058252-A1 Use of C5A receptor antagonist in the treatment of fibrosis C3AR1, C5AR1, C5AR2 KDM1A 3665/4885PRCP 1091/4885GAA 4767/4885
US-20070054841-A1 Method of treatment of systemic injury secondary to burns C5AR2, C3AR1, C5AR1 KDM1A 3746/4885PRCP 1666/4885GAA 2982/4885

“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.