SCHEMBL16293831

SCHEMBL16293831

c1ccc(CNCCCCN2CCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ FPR3 P25089 1/20 0.49
▸ SCN8A Q9UQD0 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.48
▸ CHRNA7 P36544 1/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL15995479 0.93 ALDH1A1 (0.64) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL5024894 0.87 ALDH1A1 (0.76) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL5028870 0.85 ALDH1A1 (0.74) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL16741961 0.83 CHRM2 (0.92) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL9777421 0.80 CHRM2 (0.93) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL6231722 0.79 CHRM2 (0.85) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL16006928 0.79 CYP3A4 (0.43) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL9184672 0.78 CHRM2 (0.89) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL19937803 0.77 SCN8A (0.53) CHRM2ALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL5024742 0.77 L3MBTL1 (1.00) CHRM2ALDH1A1ALOX15TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885ALDH1A1 1536/4885ALOX15 1831/4885

“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.

Send feedback