SCHEMBL4908217

SCHEMBL4908217

O=C(N[C@@H]1C2C=CC(C2)[C@@H]1C(=O)O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.34
CNR2 P34972 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
FABP3 P05413 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE9A O76083 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL4917829 0.92 CNR2 (0.33) CNR2ALDH1A1LMNAHPGDCHRM1
SCHEMBL4909168 0.92 CNR2 (0.35) CNR2ALDH1A1
SCHEMBL3469214 0.90 NR1H4 (0.32) CNR2ALDH1A1LMNAHPGDPDE9A
SCHEMBL176605 0.90 NR1H4 (0.32) CNR2ALDH1A1LMNAHPGDPDE9A
SCHEMBL3469281 0.90 NR1H4 (0.32) CNR2ALDH1A1LMNAHPGDPDE9A
SCHEMBL4209447 0.89 CHRNB2 (0.36) FABP4CNR2ALDH1A1LMNAHPGD
SCHEMBL14548127 0.89 CNR2 (0.33) CNR2ALDH1A1LMNAHPGDCHRM1
SCHEMBL176721 0.85 ALDH1A1 (0.41) CNR2ALDH1A1LMNAHPGDBRD4
SCHEMBL176688 0.85 CNR1 (0.41) CNR2ALDH1A1LMNAHPGD
SCHEMBL176691 0.85 CNR1 (0.41) CNR2ALDH1A1LMNAHPGD

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 FABP4 2279/4885CNR2 1/4885ALDH1A1 1422/4885

“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.