SCHEMBL4744787

SCHEMBL4744787

CCOC(=O)c1n[nH]c(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.56
TARBP2 Q15633 1/20 0.56
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
TP53 P04637 1/20 0.51
MDM2 Q00987 1/20 0.51
GCGR P47871 1/20 0.50
ALOX5 P09917 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.47
MAPK10 P53779 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.46
CYP19A1 P11511 1/20 0.46
NPC1 O15118 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
PTGES O14684 1/20 0.46
SIRT2 Q8IXJ6 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
SCHEMBL5023315 0.88 ALPL (0.55) ALPLTARBP2GABRA2GABRB2TP53
SCHEMBL4872475 0.86 ALPL (0.49) ALPLTARBP2GABRA2GABRB2TP53
SCHEMBL6852749 0.86 KDM4E (0.57) TARBP2GABRA2GABRB2RAB9AKDM4E
SCHEMBL8368083 0.84 ALPL (0.52) ALPLTARBP2GABRA2GABRB2TP53
SCHEMBL8364844 0.84 ALPL (0.46) ALPLTARBP2GABRA2GABRB2GCGR
SCHEMBL17803271 0.84 MAPT (0.50) TARBP2KDM4EHTTMAPK10SMN1; SMN2
SCHEMBL16197762 0.81 ALPL (0.46) ALPLRAB9AKDM4ESMN1; SMN2POLB
SCHEMBL21331813 0.78 KDM4E (0.55) TARBP2RAB9AKDM4EHTTMAPK10
SCHEMBL10355412 0.78 KDM4E (0.57) ALPLTARBP2GABRA2GABRB2TP53
SCHEMBL2197641 0.76 ALOX5 (0.51) TARBP2ALOX5RAB9AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008101860-A1 NOVEL PROCESS FOR THE PREPARATION OF 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYL-N-(PIPERIDIN-1-YL)PYRAZOLE-3-CARBOXAMIDE SANDOZ AG (CH) 2008-08-28 WO claimed
US-8367714-B2 Cannabinoid receptor targeted agent VANDERBILT UNIVERSITY (US) 2013-02-05 US disclosed
US-8367714-B2 Cannabinoid receptor targeted agent VANDERBILT UNIVERSITY (US) 2013-02-05 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
WO-2009029727-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERBILT UNIVERSITY (US) 2009-03-05 WO disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
WO-2008101860-A1 NOVEL PROCESS FOR THE PREPARATION OF 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYL-N-(PIPERIDIN-1-YL)PYRAZOLE-3-CARBOXAMIDE SANDOZ AG (CH) 2008-08-28 WO disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 US 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 (2 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-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT CNR1, CNR2, NPY1R ALPL 4846/4885TARBP2 4592/4885GABRA2 91/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG ALPL 1940/4885TARBP2 3997/4885GABRA2 1307/4885

“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.