SCHEMBL16785650

SCHEMBL16785650

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(OC[C@H](O)CO)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.35
▸ KDM1A O60341 3/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ EPHB4 P54760 1/20 0.32

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
SCHEMBL16785565 0.91 RAF1 (0.35) RAF1TRPV3KDM1AMAOAMAOB
SCHEMBL16776478 0.84 SCN9A (0.39) KDM1AMAOAMAOBCA2CA9
SCHEMBL16785537 0.84 SCN9A (0.39) KDM1AMAOAMAOBCA2CA9
SCHEMBL16785582 0.83 ADORA2A (0.37) RAF1TRPV3KDM1AMAOAMAOB
SCHEMBL16785527 0.82 MC4R (0.39) ADORA2AKARS1FYN
SCHEMBL18415693 0.82 RAF1 (0.37) RAF1GPR52TRPV3KDM1AMAOA
SCHEMBL16775859 0.81 RPS6KA2 (0.33) RAF1CA9CCNA2CDK2MAPK3
SCHEMBL16785530 0.80 KARS1 (0.38) CA2CA9KMOADORA2AEPHB4
SCHEMBL16785531 0.80 KARS1 (0.36) KMOADORA2AEPHB4SLC5A1KARS1
SCHEMBL17624524 0.80 KIF18A (0.36) RAF1GPR52TRPV3KDM1AMAOA

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 1 patent. 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 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 (1 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 RAF1 2875/4885GPR52 3764/4885TRPV3 4093/4885

“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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