SCHEMBL15434702

SCHEMBL15434702

CCc1nc(CN(C)C)nc(C)c1Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
AR P10275 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 1/20 0.33
LMNA P02545 4/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
PYCR1 P32322 1/20 0.32
TP53 P04637 1/20 0.32
PLA2G2A P14555 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK1 Q13546 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
SCHEMBL9289896 0.88 TAAR1 (0.42) TAAR1CYP2D6CHRM1HTR2AHRH1
SCHEMBL856305 0.82 NPSR1 (0.44) TAAR1CYP2D6CHRM1HTR2AHRH1
SCHEMBL16479772 0.78
SCHEMBL15434707 0.78 DHFR (0.49) NPSR1TLR7
SCHEMBL16479907 0.75 HSD17B10 (0.40) SMN1; SMN2ALDH1A1HPGDARNPSR1
SCHEMBL15434673 0.74
SCHEMBL16479761 0.74
SCHEMBL9289682 0.71 ALDH1A1 (0.31) ALDH1A1HPGDGAATLR7
SCHEMBL16479756 0.71 HRH3 (0.30) ALDH1A1
SCHEMBL16479763 0.71 NPSR1 (0.54) CYP2D6SMN1; SMN2ALDH1A1HPGDNPSR1

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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR TAAR1 4379/4885CYP2D6 749/4885CHRM1 4177/4885

“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.