SCHEMBL17624487

SCHEMBL17624487

O=C(Nc1ccccn1)N1c2nc(-c3cc(F)cc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ LPL P06858 2/20 0.38
▸ LIPC P11150 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ VCP P55072 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ PHGDH O43175 2/20 0.35
▸ XPO1 O14980 2/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ MAP3K12 Q12852 1/20 0.34

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
SCHEMBL17618594 0.93 FAAH (0.43) TRPV1VCPFAAHCACNA1CCHRM4
SCHEMBL16238412 0.90 PHGDH (0.41) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL17618905 0.90 PHGDH (0.41) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL19361196 0.89 TRPM8 (0.44) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL17618566 0.89 TRPV1 (0.40) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL17618388 0.88 VCP (0.43) TRPV1VCPFAAHCHRM4
SCHEMBL17618605 0.86 GSK3B (0.38) TRPV1VCPFAAHCHRM4
SCHEMBL17769364 0.86 KDM4E (0.42) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL17618904 0.86 KDM4E (0.42) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL19365675 0.86 KDM4E (0.42) TRPV1TRPM8LPLLIPCLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 4249/4885TRPM8 2616/4885LPL 2701/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885TRPM8 2187/4885LPL 2745/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885TRPM8 2187/4885LPL 2745/4885

“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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