SCHEMBL16775809

SCHEMBL16775809

O=C(Nc1nccc(N2CCCCC2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ IDH2 P48735 6/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ KMO O15229 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ SMG1 Q96Q15 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL17618331 0.95 TRPV1 (0.41) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL16238537 0.93 KARS1 (0.42) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL17618867 0.93 MAPK9 (0.41) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL16238487 0.88 CA2 (0.41) TRPV1CA2CA9IDH1MAPK9
SCHEMBL17618332 0.88 KARS1 (0.43) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL17618876 0.87 CA2 (0.39) MAPK13MAPK12MAPK11MAPK14CA2
SCHEMBL17618793 0.85 NPY2R (0.43) TRPV1CA2CA9MEN1KMT2A
SCHEMBL17618783 0.83 MEN1 (0.47) TRPV1MEN1KMT2AIDH2KDM4E
SCHEMBL16238412 0.83 PHGDH (0.41) TRPV1CA2CA9MEN1KMT2A
SCHEMBL17618905 0.83 PHGDH (0.41) TRPV1CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-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-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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 4249/4885MAPK13 2347/4885MAPK12 2053/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885MAPK13 2931/4885MAPK12 2279/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 4249/4885MAPK13 2347/4885MAPK12 2053/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885MAPK13 2931/4885MAPK12 2279/4885

“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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