SCHEMBL176745

SCHEMBL176745

O=C(N[C@@H](CO)c1ccccc1)c1n[nH]c2c1CCCC/C2=C\c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.59
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 11/20 0.44
MAPK10 P53779 2/20 0.43
DCAF1 Q9Y4B6 2/20 0.40
CNR1 P21554 1/20 0.40
PAK4 O96013 1/20 0.40
MAPK3 P27361 6/20 0.40
CYP1A2 P05177 1/20 0.39
AURKA O14965 1/20 0.38
CDK2 P24941 1/20 0.38
PHGDH O43175 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL13011106 0.99 CNR2 (0.59) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13011108 0.99 CNR2 (0.59) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14089791 0.93 CNR2 (0.52) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL176588 0.90 CNR2 (0.53) CNR2NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL300699 0.87 CNR2 (0.48) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13011102 0.87 CNR1 (0.51) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13011107 0.87 CNR1 (0.51) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14089571 0.85 CNR2 (0.47) CNR2NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL177186 0.83 NPC1 (0.45) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13745745 0.83 NPC1 (0.45) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
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
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US disclosed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US disclosed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 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 (3 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 1/4885NPC1 601/4885RAB9A 2781/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CNR2 1/4885NPC1 601/4885RAB9A 2781/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH CNR2 1/4885NPC1 601/4885RAB9A 2781/4885

“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.