SCHEMBL17618590

SCHEMBL17618590

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cccc(CC(O)CO)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.36
▸ SCD O00767 1/20 0.35
▸ WNT3A P56704 4/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ ABL1 P00519 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ ITK Q08881 1/20 0.32
▸ DEGS1 O15121 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ LYN P07948 2/20 0.31
▸ SRC P12931 2/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL17618588 0.89 DRD2 (0.35) GSK3BBTK
SCHEMBL17618452 0.89 MAPK14 (0.35) SCDPIK3CAMTORPIK3CGFGFR4
SCHEMBL17618391 0.87 SCD (0.41) SCDWNT3AABL1HPGDSDEGS1
SCHEMBL19669050 0.85 TRPV1 (0.35) TRPV1WNT3AMTORFGFR4PRKCA
SCHEMBL17618592 0.85 PIM2 (0.34) TRPV1
SCHEMBL17618376 0.85 GRM5 (0.39) SCDCNR1
SCHEMBL17618499 0.85 GRM5 (0.39) SCDCNR1
SCHEMBL17618593 0.84 FAAH (0.39) TRPV1WNT3APIK3CAMTORFGFR4
SCHEMBL19361168 0.83 VCP (0.39) SCDFGFR4ABL1ITKDEGS1
SCHEMBL17618500 0.83 LPL (0.41) TRPV1SCDPIK3CAMTOR

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-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 4249/4885SCD 928/4885WNT3A 4128/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885SCD 1014/4885WNT3A 4291/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885SCD 1014/4885WNT3A 4291/4885

“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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