SCHEMBL177215

SCHEMBL177215

NC(=O)[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ANPEP P15144 1/20 0.40
KDM1A O60341 4/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 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
SCHEMBL2699779 1.00 ALDH1A1 (0.41) ALDH1A1GAAAURKARPS6KB1ANPEP
SCHEMBL10002494 1.00 ALDH1A1 (0.41) ALDH1A1GAAAURKARPS6KB1ANPEP
SCHEMBL4758031 1.00 ALDH1A1 (0.41) ALDH1A1GAAAURKARPS6KB1ANPEP
SCHEMBL177088 1.00 ALDH1A1 (0.41) ALDH1A1GAAAURKARPS6KB1ANPEP
SCHEMBL3092977 1.00 ALDH1A1 (0.41) ALDH1A1GAAAURKARPS6KB1ANPEP
SCHEMBL3327022 0.83 ALDH1A1 (0.41) ALDH1A1GAANAMPTMEN1KMT2A
SCHEMBL8410178 0.83 ALDH1A1 (0.41) ALDH1A1GAANAMPTMEN1KMT2A
SCHEMBL8045772 0.83 ALDH1A1 (0.41) ALDH1A1GAANAMPTMEN1KMT2A
SCHEMBL4283036 0.81 ALDH1A1 (0.41) ALDH1A1GAAANPEPKDM1AATM
SCHEMBL562899 0.81 KDM1A (0.42) ALDH1A1GAAANPEPKDM1AATM

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 37 patents — showing the first 20. 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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-7790718-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US claimed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US claimed
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US claimed
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP claimed
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 US claimed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US claimed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 US claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-05 US claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 US disclosed
WO-2007035945-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-29 WO disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-05 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 (10 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 ALDH1A1 1422/4885GAA 1716/4885AURKA 4538/4885
US-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators CNR1, CNR2, GPR18 ALDH1A1 1724/4885GAA 3305/4885AURKA 4686/4885
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 ALDH1A1 1724/4885GAA 3305/4885AURKA 4686/4885
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators CNR1, CNR2, GPR18 ALDH1A1 2068/4885GAA 3989/4885AURKA 4568/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH ALDH1A1 1422/4885GAA 1716/4885AURKA 4538/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL ALDH1A1 1278/4885GAA 53/4885AURKA 1817/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 ALDH1A1 3623/4885GAA 3665/4885AURKA 2601/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 ALDH1A1 3623/4885GAA 3665/4885AURKA 2601/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 ALDH1A1 603/4885GAA 718/4885AURKA 3718/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH ALDH1A1 1422/4885GAA 1716/4885AURKA 4538/4885

“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.