SCHEMBL17618568

SCHEMBL17618568

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)n3)ccc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.43
▸ IDH2 P48735 5/20 0.39
▸ IDH1 O75874 3/20 0.39
▸ TGFBR1 P36897 7/20 0.38
▸ TGFBR2 P37173 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HCRTR2 O43614 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
SCHEMBL17618580 0.90 MPL (0.42) TRPV1IDH2IDH1TGFBR1TGFBR2
SCHEMBL17618570 0.90 ALOX15 (0.38) TRPV1IDH2IDH1TGFBR1TGFBR2
SCHEMBL17618569 0.88 P2RX3 (0.37) TRPV1IDH2IDH1TGFBR1TGFBR2
SCHEMBL17618458 0.87 TRPV1 (0.41) TRPV1IDH2TRPM8
SCHEMBL19361196 0.86 TRPM8 (0.44) TRPV1TRPM8HCRTR2
SCHEMBL17618443 0.86 TRPV1 (0.49) TRPV1TRPM8
SCHEMBL17618905 0.86 PHGDH (0.41) TRPV1IDH2TRPM8
SCHEMBL16238412 0.86 PHGDH (0.41) TRPV1IDH2TRPM8
SCHEMBL17624603 0.85 TRPV1 (0.47) TRPV1TRPM8
SCHEMBL19361197 0.85 FAAH (0.43) TRPV1NPC1RAB9A

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-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-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
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 4249/4885IDH2 42/4885IDH1 409/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885IDH2 34/4885IDH1 313/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885IDH2 34/4885IDH1 313/4885

“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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