SCHEMBL3875725

SCHEMBL3875725

CC(c1ccc(F)cc1)N1CCN(c2cc(Oc3cccc4[nH]c(=O)c(=O)[nH]c34)ncn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.39
CHRM2 P08172 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
PARP1 P09874 1/20 0.39
OPRM1 P35372 1/20 0.38
OGA O60502 1/20 0.36

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
SCHEMBL3874107 1.00 CHRM4 (0.39) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL3882565 0.93 BRAF (0.39) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL3877065 0.93 BRAF (0.39) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL13897672 0.86 TRPV1 (0.50)
SCHEMBL3875629 0.86 TRPV1 (0.50)
SCHEMBL3874646 0.86 TRPV1 (0.50)
SCHEMBL3875205 0.85 OGA (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL3881497 0.85 OGA (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL3884682 0.84 ACHE (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL13898195 0.84 ACHE (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CHRM4 697/4885CHRM2 689/4885CHRM5 633/4885

“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.