SCHEMBL4209447

SCHEMBL4209447

O=C(N[C@H]1C2CCC(C2)[C@H]1C(=O)O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
FABP4 P15090 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 4/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
FABP3 P05413 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PDE9A O76083 1/20 0.33

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
SCHEMBL4221046 0.91 TAAR1 (0.38) CHRNB2CHRNA4CNR2KCNJ6KCNJ5
SCHEMBL176657 0.90 KCNJ6 (0.35) CHRNB2CHRNA4LMNAALDH1A1HPGD
SCHEMBL4908217 0.89 FABP4 (0.34) CHRNB2CHRNA4FABP4LMNAALDH1A1
SCHEMBL4208017 0.86 CNR2 (0.45) CNR2
SCHEMBL176691 0.86 CNR1 (0.41) LMNAALDH1A1HPGDCNR2TP53
SCHEMBL176721 0.86 ALDH1A1 (0.41) LMNAALDH1A1HPGDCNR2TP53
SCHEMBL176688 0.86 CNR1 (0.41) LMNAALDH1A1HPGDCNR2TP53
SCHEMBL176427 0.85 CNR1 (0.41) LMNAALDH1A1HPGDCNR2TP53
SCHEMBL300707 0.84 KCNJ6 (0.33) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL3470486 0.84 CNR1 (0.39) LMNAALDH1A1CNR2TP53MAPT

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 CHRNB2 144/4885CHRNA4 37/4885FABP4 2279/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CHRNB2 144/4885CHRNA4 37/4885FABP4 2279/4885

“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.