SCHEMBL13745207

SCHEMBL13745207

C[C@H](NS(=O)(=O)/C=C/c1n[nH]c2c1CCCC[C@@H]2Cc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.83
CNR1 P21554 2/20 0.34
TACR1 P25103 2/20 0.32
TBXA2R P21731 1/20 0.31
PTGDR Q13258 1/20 0.31
DUT P33316 1/20 0.31
CMA1 P23946 1/20 0.31
CCR5 P51681 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MAPK1 P28482 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL176431 1.00 CNR2 (0.83) CNR2CNR1TACR1TBXA2RPTGDR
SCHEMBL13011098 0.99 CNR2 (0.82) CNR2CNR1TACR1TBXA2RPTGDR
SCHEMBL13011083 0.91 CNR2 (0.70) CNR2CNR1MAPK1
SCHEMBL176578 0.91 CNR2 (1.00) CNR2TACR1TBXA2RPTGDRDUT
SCHEMBL176472 0.91 CNR2 (1.00) CNR2TACR1TBXA2RPTGDRDUT
SCHEMBL257655 0.91 CNR2 (1.00) CNR2TACR1TBXA2RPTGDRDUT
SCHEMBL300529 0.91 CNR2 (1.00) CNR2TACR1TBXA2RPTGDRDUT
SCHEMBL13745252 0.91 CNR2 (1.00) CNR2TACR1TBXA2RPTGDRDUT
SCHEMBL13745064 0.88 CNR2 (0.65) CNR2TACR1TBXA2RPTGDRCCR5
SCHEMBL176561 0.87 CNR2 (0.85) CNR2TBXA2RPTGDR

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-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 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-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH CNR2 1/4885CNR1 2/4885TACR1 127/4885

“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.