SCHEMBL393127

SCHEMBL393127

FC(F)(F)CN[C@@H]1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.45
TRPV1 Q8NER1 6/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
PDE10A Q9Y233 1/20 0.42
HPGDS O60760 2/20 0.39
DPP4 P27487 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CHRM4 P08173 1/20 0.38
CA12 O43570 8/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA4 P22748 8/20 0.38

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
SCHEMBL393128 1.00 HMOX1 (0.45) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL1782143 0.83 GRM2 (0.44) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL1782714 0.83 GRM2 (0.44) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL1782278 0.83 GRM2 (0.44) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL391823 0.82 GRM2 (0.42) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL392254 0.82 GRM2 (0.42) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL391822 0.82 GRM2 (0.42) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL1783315 0.81 GRM2 (0.42) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL389820 0.81 OPRK1 (0.49) HMOX1TRPV1TRPM8GRM2GRM3
SCHEMBL389819 0.81 OPRK1 (0.49) HMOX1TRPV1TRPM8GRM2GRM3

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
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
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

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 HMOX1 925/4885TRPV1 514/4885TRPM8 1513/4885

“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.