SCHEMBL1643567

SCHEMBL1643567

CCNc1ccc([C@@H](C)N)nc1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
PLEC Q15149 1/20 0.32
IDO1 P14902 2/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL1688372 0.73 L3MBTL1 (0.40) HTT
SCHEMBL16414534 0.71 NOS3 (0.48) MAPT
SCHEMBL1642783 0.71 LMNA (0.38) AOC1AOC3CYP3A4TSHRRECQL
SCHEMBL589064 0.68 IRAK4 (0.35)
SCHEMBL21604162 0.68 NNMT (0.42)
SCHEMBL1644747 0.67 ADORA1 (0.37) CYP3A4TSHRRECQLKDM4EALDH1A1
SCHEMBL1642724 0.67 CYP3A4 (0.41) AOC1AOC3CYP3A4TSHRRECQL
SCHEMBL1644348 0.66 KDM4E (0.38) CYP3A4TSHRRECQLKDM4EALDH1A1
SCHEMBL13685240 0.65
SCHEMBL28287056 0.63 RAB9A (0.51) KDM4EALDH1A1GAAMAPTHPGD

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 AOC1 2693/4885AOC3 2551/4885CYP3A4 2021/4885

“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.