SCHEMBL16754642

SCHEMBL16754642

O=C(Nc1ccccn1)N1c2nc(N3CC[C@H](C(F)(F)F)C3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.42
▸ MAP4K4 O95819 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LPL P06858 1/20 0.36
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL19669097 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754579 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL17778316 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754431 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754535 0.96 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL17778529 0.96 DGAT2 (0.41) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754489 0.96 DGAT2 (0.41) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754580 0.96 DGAT2 (0.41) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754341 0.96 MAP4K4 (0.42) TRPV1MAP4K4PDE10ADGAT2TRPV3
SCHEMBL16754343 0.96 MAP4K4 (0.42) TRPV1MAP4K4PDE10ADGAT2TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US claimed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885MAP4K4 2229/4885PDE10A 2635/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 4032/4885MAP4K4 1856/4885PDE10A 2233/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885MAP4K4 2229/4885PDE10A 2635/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885MAP4K4 2229/4885PDE10A 2635/4885

“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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