SCHEMBL13338802

SCHEMBL13338802

COc1ccc(N(c2ccccn2)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
DRD1 P21728 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL13338416 0.83 ALDH1A1 (0.46) KDM4EALDH1A1LMNACHRM2ADRA2A
SCHEMBL13338512 0.82 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL13338699 0.81 CYP17A1 (0.40) KDM4EALDH1A1LMNACHRM2ADRA2A
SCHEMBL13338842 0.80 TAAR1 (0.42) ALDH1A1LMNACYP1A2CHRM2CYP3A4
SCHEMBL12669562 0.80 KDM4E (0.55) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL13338804 0.80 EGFR (0.42) KDM4EALDH1A1LMNACYP3A4CYP2D6
SCHEMBL13338372 0.79 CYP2D6 (0.47) KDM4EALDH1A1LMNACYP1A2CHRM2
SCHEMBL13367406 0.79 MEN1 (0.54) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL13333997 0.78 KDM4E (0.39) KDM4EALDH1A1CYP3A4ADRA2ACYP2D6
SCHEMBL13338555 0.78 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1CYP2D6TSHR

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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 KDM4E 2780/4885MEN1 3828/4885ALDH1A1 428/4885

“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.