SCHEMBL3466374

SCHEMBL3466374

O=C(O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ EPHX2 P34913 1/20 0.39
▸ PDE9A O76083 2/20 0.39
▸ RET P07949 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KCNJ6 P48051 2/20 0.35
▸ KCNJ3 P48549 2/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL14267589 0.91 CNR2 (0.44) CNR2EPHX2PDE9ARETPDE4A
SCHEMBL3466283 0.89 TBXA2R (0.39) PDE9ACNR1ALDH1A1
SCHEMBL4215053 0.88 FABP4 (0.41) CNR2PDE9AALDH1A1BTK
SCHEMBL3469275 0.88 FABP4 (0.41) CNR2PDE9AALDH1A1BTK
SCHEMBL4209459 0.88 FABP4 (0.41) CNR2PDE9AALDH1A1BTK
SCHEMBL176650 0.88 EPHX2 (0.45) CNR2EPHX2PDE9APDE4APDE4B
SCHEMBL176743 0.87 EPHX2 (0.47) CNR2EPHX2CNR1MAPTL3MBTL1
SCHEMBL176758 0.85 CNR2 (0.46) CNR2PDE9ACNR1MAPTALDH1A1
SCHEMBL176767 0.85 CNR2 (0.54) CNR2CNR1ALDH1A1
SCHEMBL176441 0.85 CNR2 (0.54) CNR2CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 — — US claimed
EP-2139328-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 — — EP claimed
JP-2009508953-A — — 2009-03-05 — — JP claimed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 — — WO claimed
EP-1937259-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 — — EP claimed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 — — US claimed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 — — US claimed
WO-2007038036-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 — — WO claimed
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 — — US disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 — — US disclosed
EP-1937259-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 — — EP disclosed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 — — US disclosed
WO-2007038036-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 — — WO 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 1/4885EPHX2 307/4885PDE9A 2637/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH CNR2 1/4885EPHX2 307/4885PDE9A 2637/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH CNR2 1/4885EPHX2 307/4885PDE9A 2637/4885

“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.

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