SCHEMBL176477

SCHEMBL176477

C[C@H](NC(=O)c1n[nH]c2c1CCCC/C2=C\c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
CNR1 P21554 10/20 0.41
CNR2 P34972 6/20 0.41
P2RX7 Q99572 2/20 0.39
RAB9A P51151 1/20 0.38
IDO1 P14902 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL176625 1.00 NPC1 (0.43) NPC1HTTCNR1CNR2P2RX7
SCHEMBL14538328 0.89 NPC1 (0.36) NPC1CNR1CNR2P2RX7RAB9A
SCHEMBL300665 0.86 MAPK1 (0.35) NPC1HTTCNR1CNR2P2RX7
SCHEMBL300543 0.86 MAPK1 (0.35) NPC1HTTCNR1CNR2P2RX7
SCHEMBL176483 0.82 CNR1 (0.56) NPC1HTTCNR1CNR2
SCHEMBL176790 0.82 CNR1 (0.56) NPC1HTTCNR1CNR2
SCHEMBL176623 0.78 NPC1 (0.46) NPC1HTTCNR1CNR2
SCHEMBL176622 0.78 NPC1 (0.46) NPC1HTTCNR1CNR2
SCHEMBL300513 0.78 NPC1 (0.46) NPC1HTTCNR1CNR2RAB9A
SCHEMBL4915235 0.78 NPC1 (0.46) NPC1HTTCNR1CNR2RAB9A

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 4 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
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP disclosed
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP 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 (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-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH NPC1 601/4885HTT 440/4885CNR1 2/4885

“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.