SCHEMBL4213055

SCHEMBL4213055

CS(=O)(=O)n1nc(C(=O)O)c2c1C(Cc1ccc(F)cc1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE2A O00408 4/20 0.38
TBXA2R P21731 2/20 0.38
PTGDR Q13258 2/20 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
SCHEMBL176489 0.86 ALDH1A1 (0.43) MEN1ALDH1A1HPGDMAPK1KMT2A
SCHEMBL3466466 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3469161 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3469365 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3469610 0.80
SCHEMBL3469566 0.78 CNR2 (0.43)
SCHEMBL300526 0.78 GLA (0.39) MEN1ALDH1A1KMT2A
SCHEMBL3470457 0.75 MARS1 (0.45) TBXA2R
SCHEMBL4213973 0.72 TBXA2R (0.43) ALDH1A1HSD17B10PDE2ATBXA2RPTGDR
SCHEMBL646267 0.72 CNR2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US claimed
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 (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-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH MEN1 4260/4885ALDH1A1 1422/4885CYP3A4 1368/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH MEN1 4260/4885ALDH1A1 1422/4885CYP3A4 1368/4885

“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.