SCHEMBL10080070

SCHEMBL10080070

O=C(c1nn(-c2ccc(F)cc2F)c2c1CCC2Cc1cccc(F)c1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CNR2 P34972 10/20 0.40
▸ CNR1 P21554 6/20 0.40
▸ ADORA2B P29275 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL10080080 0.91 CNR2 (0.46) CNR2CNR1
SCHEMBL3070301 0.89 MAPT (0.43) SIGMAR1TMEM97ALDH1A1HPGDCNR2
SCHEMBL177191 0.87 CNR2 (0.44) CNR2CNR1
SCHEMBL3076484 0.87 CNR2 (0.54) CNR2CNR1
SCHEMBL3076479 0.87 CNR2 (0.45) CNR2CNR1
SCHEMBL176466 0.83 CNR2 (0.43) CNR2CNR1
SCHEMBL3090276 0.81 CNR2 (0.48) CNR2CNR1
SCHEMBL10080076 0.81 CNR2 (0.46) CNR2CNR1
SCHEMBL10080077 0.81 CNR2 (0.46) CNR2CNR1
SCHEMBL3093466 0.80 CNR2 (0.48) CNR2CNR1

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 9 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-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-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
US-7790718-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 — — US disclosed
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 — — US 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 SIGMAR1 576/4885TMEM97 510/4885KDM4E 1758/4885
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 SIGMAR1 576/4885TMEM97 510/4885KDM4E 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.

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