SCHEMBL2679560

SCHEMBL2679560

CC(N)C(C)c1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
PIK3CA P42336 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
SCHEMBL6201553 0.87 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL16512108 0.87 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1061130 0.87 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL21534246 0.87 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL28495226 0.85 ALDH1A1 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1554056 0.83 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2443504 0.79 CYP3A4 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL7572961 0.78 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL27479724 0.78 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL14478265 0.77 KDM4E (0.54) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
EP-0378510-B1 Disperse dyes CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
US-5116958-A Containing releasable oxime or lactam group CIBA-GEIGY CORPORATION (US) 1992-05-26 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-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R CYP3A4 3683/4885ALOX15 3620/4885CASP1 3840/4885

“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.