SCHEMBL19699078

SCHEMBL19699078

CCN1CCCCN(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.42
▸ PTPRB P23467 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ RORC P51449 3/20 0.38
▸ ELANE P08246 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL19670366 0.99 NAMPT (0.42) NAMPTPTPRBCA2CA9RORC
SCHEMBL19365573 0.91 CA2 (0.39) CA2CA9ELANELMNATRPV4
SCHEMBL19670371 0.90 NAMPT (0.44) NAMPTPTPRBCA2CA9RORC
SCHEMBL17624274 0.87 CA2 (0.38) NAMPTPTPRBCA2CA9RORC
SCHEMBL16776180 0.86 NAMPT (0.42) NAMPTPTPRBCA2CA9RORC
SCHEMBL19670249 0.86 CA2 (0.42) CA2CA9FAAHLMNACHRM4
SCHEMBL16776455 0.85 NAMPT (0.43) NAMPTPTPRBCA2CA9RORC
SCHEMBL19365749 0.85 CA2 (0.42) CA2CA9LMNACHRM4CHRM5
SCHEMBL19865035 0.84 CA2 (0.37) CA2CA9ELANEFAAHLMNA
SCHEMBL19670369 0.81 NAMPT (0.41) NAMPTPTPRBCA2CA9RORC

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NAMPT 74/4885PTPRB 4509/4885CA2 4253/4885

“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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