SCHEMBL959161

SCHEMBL959161

CN(C)/C=N\c1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
CNR1 P21554 2/20 0.44
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
GUCY1B2 O75343 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GUCY1A2 P33402 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41

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
SCHEMBL959162 1.00 CNR2 (0.44) CNR2CNR1KDM4ECYP1A2CYP2D6
SCHEMBL30260807 0.87 CNR2 (0.59) CNR2CNR1KDM4ECYP1A2CYP2D6
SCHEMBL963627 0.87 CPT1A (0.44) CNR2CNR1KDM4EALDH1A1CPT1A
SCHEMBL963626 0.87 CPT1A (0.44) CNR2CNR1KDM4EALDH1A1CPT1A
SCHEMBL963708 0.87 CPT1A (0.51) CNR2CNR1KDM4EPOLBALDH1A1
SCHEMBL963710 0.87 CPT1A (0.51) CNR2CNR1KDM4EPOLBALDH1A1
SCHEMBL960999 0.85 HCRTR1 (0.34) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL960997 0.85 HCRTR1 (0.34) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL960420 0.84 KDM4E (0.52) CNR2CNR1KDM4ECYP1A2CYP2D6
SCHEMBL960419 0.84 KDM4E (0.52) CNR2CNR1KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CNR2 1120/4885CNR1 731/4885KDM4E 2887/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CNR2 1120/4885CNR1 731/4885KDM4E 2887/4885

“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.