SCHEMBL176816

SCHEMBL176816

NC(=O)c1ccccc1[CH]CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
METAP2 P50579 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCAT2 O15382 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ADRA1D P25100 1/20 0.38
GAA P10253 1/20 0.38
CTNNB1 P35222 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL176644 0.82 BCAT2 (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL7527880 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4704450 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL9903444 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL3282649 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4915227 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL14813627 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL6255375 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL1004375 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL8579469 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMAPTTSHR

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 12 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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US 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
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
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-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
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 KDM4E 1510/4885ALDH1A1 1422/4885HPGD 431/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH KDM4E 1510/4885ALDH1A1 1422/4885HPGD 431/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH KDM4E 1510/4885ALDH1A1 1422/4885HPGD 431/4885

“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.