SCHEMBL17618569

SCHEMBL17618569

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cccc(C(F)(F)F)n3)ccc2N2CC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.37
▸ LPL P06858 1/20 0.35
▸ LIPC P11150 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ TRPV1 Q8NER1 4/20 0.35
▸ DEGS1 O15121 1/20 0.35
▸ IDH1 O75874 4/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ TGFBR1 P36897 4/20 0.34
▸ TGFBR2 P37173 2/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL17618568 0.88 TRPV1 (0.43) TRPV1IDH1IDH2TGFBR1TGFBR2
SCHEMBL17618570 0.87 ALOX15 (0.38) TRPV1IDH1IDH2TGFBR1TGFBR2
SCHEMBL17618580 0.87 MPL (0.42) TRPV1IDH1IDH2WDR5TGFBR1
SCHEMBL17618380 0.86 LPL (0.41) LPLLIPCLIPGSCDTRPV1
SCHEMBL17618454 0.86 CYP2C19 (0.38) P2RX3LPLLIPCLIPGSCD
SCHEMBL17618500 0.86 LPL (0.41) LPLLIPCLIPGSCDTRPV1
SCHEMBL17618436 0.86 TRPV1 (0.41) LPLLIPCLIPGSCDTRPV1
SCHEMBL17618391 0.85 SCD (0.41) SCDDEGS1
SCHEMBL17618550 0.83 LPL (0.39) LPLLIPCLIPGSCDTRPV1
SCHEMBL17618499 0.83 GRM5 (0.39) SCD

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 P2RX3 2899/4885LPL 2701/4885LIPC 1313/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 P2RX3 1732/4885LPL 2745/4885LIPC 1190/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 P2RX3 1732/4885LPL 2745/4885LIPC 1190/4885

“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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