SCHEMBL17618566

SCHEMBL17618566

O=C(Nc1ccccn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.40
▸ TNF P01375 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LPL P06858 1/20 0.38
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ DYRK1A Q13627 1/20 0.36
▸ BRAF P15056 4/20 0.35
▸ PHGDH O43175 2/20 0.35
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GRIN2B Q13224 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
SCHEMBL16238662 0.95 TRPV1 (0.39) TRPV1TNFTRPM8ABL1LPL
SCHEMBL16238017 0.95 TRPV1 (0.39) TRPV1TNFTRPM8ABL1LPL
SCHEMBL16249951 0.91 ABL1 (0.38) ABL1LIPGDYRK1ABRAFSCN10A
SCHEMBL17618552 0.91 ABL1 (0.38) ABL1DYRK1ABRAFSCN10ACYP2C19
SCHEMBL17618905 0.90 PHGDH (0.41) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL16238412 0.90 PHGDH (0.41) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL17618605 0.90 GSK3B (0.38) TRPV1TNFABL1DYRK1A
SCHEMBL19361196 0.89 TRPM8 (0.44) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL17624487 0.89 TRPV1 (0.40) TRPV1TRPM8LPLLIPCLIPG
SCHEMBL17618550 0.89 LPL (0.39) TRPV1ABL1LPLLIPCLIPG

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 4249/4885TNF 3525/4885TRPM8 2616/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885TNF 2029/4885TRPM8 2187/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885TNF 2029/4885TRPM8 2187/4885

“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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