SCHEMBL4909168

SCHEMBL4909168

O=C(N[C@@H]1C2C=CC(C2)[C@@H]1C(=O)O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 2/20 0.31

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
SCHEMBL4908217 0.92 FABP4 (0.34) CNR2ALDH1A1
SCHEMBL3470181 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL3470473 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL176896 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL4221046 0.89 TAAR1 (0.38) CNR2TAAR1
SCHEMBL176414 0.84 NPC1 (0.44) CNR2CNR1
SCHEMBL176941 0.84 NPC1 (0.41) CNR2CNR1
SCHEMBL4917829 0.83 CNR2 (0.33) CNR2ALDH1A1
SCHEMBL176833 0.83 POLB (0.43) CNR2CNR1
SCHEMBL3469214 0.82 NR1H4 (0.32) CNR2ALDH1A1CNR1

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 1/4885ALDH1A1 1422/4885TAAR1 271/4885

“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.