SCHEMBL4369468

SCHEMBL4369468

Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(OC(F)(F)F)cc2)n1CC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 1/20 0.41
CNR1 P21554 10/20 0.40
CNR2 P34972 4/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMURF2 Q9HAU4 1/20 0.38
SMURF1 Q9HCE7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GRM2 Q14416 1/20 0.37
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3919204 0.89 CNR1 (0.43) CNR1CNR2EPHX2
SCHEMBL4369561 0.88 KCNH2 (0.41) KCNH2SCN9ACNR2TRPV1SMN1; SMN2
SCHEMBL3921909 0.86 TNK2 (0.42) KCNH2SCN9ACNR1CNR2
SCHEMBL3931794 0.84 KDM4E (0.43) CNR1CNR2TRPV1EPHX2
SCHEMBL3921311 0.83 CNR1 (0.43) CNR1CNR2EPHX2
SCHEMBL4373426 0.79 CNR1 (0.51) CNR1CNR2
SCHEMBL4368746 0.77 CNR2 (0.46) CNR1CNR2SMN1; SMN2
SCHEMBL3919284 0.77 CNR1 (0.51) CNR1CNR2
SCHEMBL4375072 0.76 CNR1 (0.49) CNR1CNR2
SCHEMBL3930498 0.76 TRPV1 (0.52) CNR1CNR2TRPV1EPHX2NPC1

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
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP claimed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO 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
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO 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 KCNH2 1217/4885SCN9A 712/4885CNR1 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.