SCHEMBL644860

SCHEMBL644860

O=C(Cl)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2=Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.61
CNR2 P34972 8/20 0.61
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MARS1 P56192 1/20 0.43

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
SCHEMBL644859 1.00 CNR1 (0.61) CNR1CNR2KDM4EALDH1A1TP53
SCHEMBL4890907 0.94 CNR1 (0.67) CNR1CNR2
SCHEMBL176641 0.94 CNR1 (0.69) CNR1CNR2
SCHEMBL4890914 0.94 CNR1 (0.67) CNR1CNR2
SCHEMBL13871727 0.94 CNR1 (0.67) CNR1CNR2
SCHEMBL13745694 0.94 CNR1 (0.69) CNR1CNR2
SCHEMBL395362 0.93 CNR1 (0.68) CNR1CNR2
SCHEMBL395361 0.93 CNR1 (0.68) CNR1CNR2
SCHEMBL643913 0.92 CNR1 (0.64) CNR1CNR2KDM4EALDH1A1TP53
SCHEMBL643914 0.92 CNR1 (0.64) CNR1CNR2KDM4EALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119621-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US disclosed
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7790718-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
EP-1937646-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
WO-2007035945-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-29 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 (2 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-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885KDM4E 1758/4885
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885KDM4E 1758/4885

“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.