SCHEMBL13660587

SCHEMBL13660587

COc1ccc([C@@H]2C[C@@H]3CCCCN3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM2B Q8NHM5 6/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM2 P08172 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4291006 1.00 DRD2 (0.44) DRD2CYP3A4KCNH2KDM2BKDM4E
SCHEMBL13660586 1.00 DRD2 (0.44) DRD2CYP3A4KCNH2KDM2BKDM4E
SCHEMBL13663228 1.00 DRD2 (0.44) DRD2CYP3A4KCNH2KDM2BKDM4E
SCHEMBL18703911 0.85 DRD2 (0.50) DRD2CYP3A4KCNH2KDM2BKDM4E
SCHEMBL18703914 0.84 SLC18A3 (0.51) DRD2CYP3A4KCNH2KDM2BKDM4E
SCHEMBL7023905 0.82 HRH3 (0.39) CYP3A4KCNH2ALDH1A1CYP2D6CYP2C19
SCHEMBL13660519 0.80 SLC18A3 (0.57) CYP2D6CYP2C19
SCHEMBL13663364 0.77 HRH3 (0.70) CYP3A4KCNH2
SCHEMBL13660589 0.77 HRH3 (0.70) CYP3A4KCNH2
SCHEMBL13660588 0.77 HRH3 (0.70) CYP3A4KCNH2

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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 DRD2 188/4885CYP3A4 439/4885KCNH2 470/4885

“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.