SCHEMBL3131844

SCHEMBL3131844

OCC=C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRD1 P41143 6/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
CYP2D6 P10635 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
DRD1 P21728 2/20 0.43
ADRA1D P25100 2/20 0.43
HTR2A P28223 2/20 0.43
HRH1 P35367 2/20 0.43
DRD3 P35462 2/20 0.43
HTR2B P41595 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL5804535 0.81 OPRM1 (0.47) OPRM1OPRD1KMT2AMEN1CHRM2
SCHEMBL7260255 0.74 ALDH1A1 (0.51) OPRM1OPRD1KMT2AMEN1CHRM2
SCHEMBL27750604 0.74 OPRM1 (0.50) OPRM1OPRD1KMT2AMEN1CHRM2
SCHEMBL1742214 0.73 OPRM1 (0.46) OPRM1OPRD1KMT2AMEN1CHRM2
SCHEMBL29785592 0.73 OPRM1 (0.46) OPRM1OPRD1KMT2AMEN1CHRM2
SCHEMBL3132955 0.73 DRD2 (0.52) OPRM1OPRD1KMT2ACHRM2CHRM4
SCHEMBL29785562 0.73 DRD2 (0.52) OPRM1OPRD1KMT2ACHRM2CHRM4
SCHEMBL3134253 0.71 CACNA2D1 (0.43) OPRM1OPRD1KMT2AMEN1CHRM2
SCHEMBL3137205 0.71 KMT2A (0.46) OPRM1OPRD1KMT2AMEN1CHRM2
SCHEMBL3135687 0.71 ATM (0.42) OPRM1OPRD1KMT2AMEN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763357-B Indolopyrimidine tricyclic compound and preparation method and application thereof 中国科学院上海药物研究所 2024-06-18 CN disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 OPRM1 439/4885OPRD1 722/4885KMT2A 1652/4885

“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.