SCHEMBL16776480

SCHEMBL16776480

C[C@@H]1CCNc2ccc(-c3ccc(C(F)(F)F)cc3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ TRPV1 Q8NER1 7/20 0.41
▸ EPHX2 P34913 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ PHGDH O43175 1/20 0.37
▸ AR P10275 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CTSV O60911 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ ELOVL6 Q9H5J4 1/20 0.35
▸ ELOVL3 Q9HB03 1/20 0.35

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
SCHEMBL16776478 0.91 SCN9A (0.39) TRPM8TRPV1KCNH2PHGDHAR
SCHEMBL16785537 0.91 SCN9A (0.39) TRPM8TRPV1KCNH2PHGDHAR
SCHEMBL16776477 0.90 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL16776014 0.86 GRM5 (0.40) KCNH2PTGS1PTGS2
SCHEMBL19365445 0.84 TRPM8 (0.43) TRPM8TRPV1EPHX2KCNH2CACNA1C
SCHEMBL16776050 0.82 PRMT5 (0.38) PTGS1PTGS2
SCHEMBL16776053 0.81 PTGS1 (0.42) PTGS1PTGS2KDM4E
SCHEMBL16775933 0.81 USP30 (0.39) AR
SCHEMBL16776198 0.81 GRM5 (0.39) KCNH2PTGS1PTGS2
SCHEMBL16785582 0.80 ADORA2A (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPM8 2187/4885TRPV1 3670/4885EPHX2 4530/4885

“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.

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