SCHEMBL4906436

SCHEMBL4906436

O=C(O)c1nn(Cc2ccc(Cl)cc2)c2c1CCCCC2Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
PTGER4 P35408 1/20 0.41
TBXA2R P21731 15/20 0.41
PTGDR Q13258 13/20 0.41
PDE2A O00408 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4213973 0.91 TBXA2R (0.43) TBXA2RPTGDRPDE2ATSHRNPSR1
SCHEMBL176586 0.88 CNR2 (0.45) CNR2TSHR
SCHEMBL176830 0.87 HPGD (0.46) CNR2TSHR
SCHEMBL176986 0.85 CNR2 (0.47) CNR2
SCHEMBL176616 0.85 CNR2 (0.47) CNR2
SCHEMBL3469170 0.85 CNR2 (0.47) CNR2
SCHEMBL3466374 0.84 CNR2 (0.46) CNR2
SCHEMBL3466388 0.80 CNR2 (0.43) CNR2
SCHEMBL257729 0.80 CNR1 (0.39) CNR2TBXA2RPTGDRPDE2ATSHR
SCHEMBL176633 0.78 CNR2 (0.42) CNR2TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378117-B2 1-(4-fluoro-phenyl)-8-(4-methyl-benzyl)-1,4,5,6,7,8-hexahydro-cycloheptapyrazole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide; antidepressant, anxiolytic; nervous system disorders, metabolic disorders, obesity JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 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 (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-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CNR2 1/4885PTGER4 568/4885TBXA2R 209/4885

“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.