SCHEMBL5317192

SCHEMBL5317192

CC12CCC(C1)C(C)(C)C2NC(=O)c1nn(C2CCCCC2)c2c1CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.42
SIGMAR1 Q99720 6/20 0.42
CNR2 P34972 8/20 0.40
CNR1 P21554 3/20 0.40
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL6109597 0.90 CNR2 (0.40) CNR2CNR1TAS1R3TAS1R1
SCHEMBL5317196 0.88 CNR2 (0.45) TMEM97SIGMAR1CNR2CNR1TAS1R3
SCHEMBL5314891 0.88 CNR2 (0.44) TMEM97SIGMAR1CNR2CNR1TAS1R3
SCHEMBL5315257 0.87 CNR2 (0.41) CNR2CNR1TAS1R3TAS1R1
SCHEMBL5317316 0.84 CNR2 (0.41) CNR2CNR1TAS1R3TAS1R1
SCHEMBL5317181 0.82 CNR2 (0.45) CNR2CNR1TAS1R3TAS1R1
SCHEMBL5314762 0.81 CNR2 (0.48) CNR2CNR1TAS1R3TAS1R1
SCHEMBL5314686 0.81 CNR2 (0.48) CNR2CNR1TAS1R3TAS1R1
SCHEMBL5313239 0.78 CNR2 (0.44) CNR2CNR1TAS1R3TAS1R1HDAC1
SCHEMBL13871487 0.78 CNR2 (0.52) CNR2CNR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804791-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-11 EP claimed
WO-2006049880-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO claimed
US-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-27 US claimed
US-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-27 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 (1 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-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators CNR2, CNR1, GPR18 TMEM97 538/4885SIGMAR1 557/4885CNR2 1/4885

“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.