SCHEMBL4372526

SCHEMBL4372526

Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n1C[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.59
CNR2 P34972 3/20 0.37
CCR2 P41597 3/20 0.36
IL1B P01584 2/20 0.35
P2RX7 Q99572 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
RORC P51449 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM3 P20309 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4371187 0.91 CNR1 (0.48) CNR1CNR2IL1BP2RX7TRPV1
SCHEMBL4371310 0.91 CNR1 (0.48) CNR1CNR2IL1BP2RX7TRPV1
SCHEMBL4371181 0.91 CNR1 (0.48) CNR1CNR2IL1BP2RX7TRPV1
SCHEMBL4367965 0.90 CNR1 (0.59) CNR1CNR2CCR2TRPV1CHRM3
SCHEMBL4372529 0.85 CNR1 (0.42) CNR1CNR2IL1BP2RX7TRPV1
SCHEMBL5615341 0.81 CNR1 (0.66) CNR1CNR2CCR2TRPV1CHRM1
SCHEMBL4372545 0.80 CNR1 (0.48) CNR1CNR2RORCLMNANPSR1
SCHEMBL4374615 0.80 CNR1 (0.48) CNR1CNR2RORCLMNANPSR1
SCHEMBL13717371 0.80 CNR1 (0.67) CNR1CNR2TRPV1CHRM1
SCHEMBL4374797 0.77 ALDH1A1 (0.43) CNR1CNR2RORCLMNANPSR1

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-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 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-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885CCR2 292/4885

“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.