SCHEMBL13338489

SCHEMBL13338489

CC(C)N(c1ccccn1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL13338843 0.84 HRH4 (0.33) LMNATAAR1CYP2D6CYP2C19ADRA2A
SCHEMBL13338487 0.84 KDM4E (0.38) SIGMAR1LMNACYP2A6ADRA2AADRA2B
SCHEMBL13338642 0.82 TAAR1 (0.35) LMNATAAR1CYP2D6CYP2C19CYP3A4
SCHEMBL13338369 0.81 SIGMAR1 (0.52) SIGMAR1CYP2A6CYP2D6CYP2C19CYP3A4
SCHEMBL13338827 0.80 CYP2A6 (0.42) LMNATAAR1CYP2A6CYP2D6CYP2C19
SCHEMBL13338831 0.80 PABPC1 (0.40) LMNATAAR1CYP2D6CYP2C19CYP3A4
SCHEMBL13338372 0.79 CYP2D6 (0.47) LMNATAAR1CYP2D6CYP2C19ADRA2A
SCHEMBL13367399 0.79 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP2D6CYP2C19ADRA2A
SCHEMBL13338488 0.78 CYP2A6 (0.43) SIGMAR1LMNACYP2A6CYP2D6CYP2C19
SCHEMBL13338492 0.78 SLC6A2 (0.43) SIGMAR1LMNAADRA2AADRA2BADRA2C

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 SIGMAR1 699/4885LMNA 4085/4885TAAR1 1913/4885

“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.