SCHEMBL391173

SCHEMBL391173

O=C(N[C@@H]1CCN(c2ccc(Br)cn2)C1)C(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
CA12 O43570 17/20 0.46
CA1 P00915 17/20 0.46
CA2 P00918 17/20 0.46
CA4 P22748 17/20 0.46
CA7 P43166 17/20 0.46
CA9 Q16790 17/20 0.46
KMT2A Q03164 1/20 0.42

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
SCHEMBL387906 1.00 TRPV1 (0.52) TRPV1TRPM8CA12CA1CA2
SCHEMBL387907 1.00 TRPV1 (0.52) TRPV1TRPM8CA12CA1CA2
SCHEMBL997974 0.85 TRPV1 (0.50) TRPV1TRPM8CA12CA1CA2
SCHEMBL15206576 0.85 TRPV1 (0.50) TRPV1TRPM8CA12CA1CA2
SCHEMBL15205294 0.85 TRPV1 (0.50) TRPV1TRPM8CA12CA1CA2
SCHEMBL15206064 0.84 TRPV1 (0.49) TRPV1TRPM8CA12CA1CA2
SCHEMBL15205421 0.84 TRPV1 (0.49) TRPV1TRPM8CA12CA1CA2
SCHEMBL392349 0.83 TRPV1 (0.54) TRPV1TRPM8CA12CA1CA2
SCHEMBL392348 0.83 TRPV1 (0.54) TRPV1TRPM8CA12CA1CA2
SCHEMBL389068 0.78 SYK (0.53) TRPV1TRPM8

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R TRPV1 514/4885TRPM8 1513/4885CA12 3958/4885

“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.