SCHEMBL3379187

SCHEMBL3379187

COCCOc1ncc(N)cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
SCN9A Q15858 3/20 0.38
SCN5A Q14524 2/20 0.38
EGFR P00533 1/20 0.35
HDAC2 Q92769 1/20 0.34
TSHR P16473 1/20 0.33
SSTR4 P31391 2/20 0.32
TACR2 P21452 1/20 0.32
CNR1 P21554 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
SCHEMBL14928601 0.86 TRPC6 (0.36) CNR2SCN9ASCN5ASSTR4
SCHEMBL14923457 0.83 SCN9A (0.34) SCN9ASCN5ATSHRSSTR4
SCHEMBL3368287 0.82 MAPT (0.37)
SCHEMBL19173270 0.79 PDGFRB (0.35) CNR2HDAC2TSHRSSTR4TACR2
SCHEMBL3379154 0.76 MAPT (0.38) CNR2SCN9ASCN5AHDAC2
SCHEMBL14910166 0.76 TSHR (0.40) TSHR
Hydrochloric Acid SCHEMBL8986094 0.76 MAPT (0.37) TSHR
SCHEMBL14910804 0.74 PIK3CA (0.41) TSHR
SCHEMBL14909270 0.74 PLAU (0.39) TSHRTACR2CNR1
SCHEMBL1558559 0.74 APP (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CNR2 305/4885SCN9A 885/4885SCN5A 776/4885

“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.