SCHEMBL13660591

SCHEMBL13660591

c1ccc([C@H]2C[C@@H]3CCCCN3C2)c(OCCCN2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
HRH3 Q9Y5N1 6/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH1 P35367 3/20 0.46
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL4293401 1.00 CYP2D6 (0.48) CYP2D6CYP2C19HRH3ALDH1A1KDM4E
SCHEMBL13660589 0.79 HRH3 (0.70) HRH3CYP3A4CYP2C9KCNH2
SCHEMBL4295721 0.79 HRH3 (0.70) HRH3CYP3A4CYP2C9KCNH2
SCHEMBL13660588 0.79 HRH3 (0.70) HRH3CYP3A4CYP2C9KCNH2
SCHEMBL13663364 0.79 HRH3 (0.70) HRH3CYP3A4CYP2C9KCNH2
SCHEMBL4293403 0.78 NPY1R (0.39) KMT2A
SCHEMBL13663229 0.78 MEN1 (0.48) ALDH1A1MEN1KMT2ADRD2
SCHEMBL4295631 0.78 MEN1 (0.48) ALDH1A1MEN1KMT2ADRD2
SCHEMBL13660590 0.78 MEN1 (0.48) ALDH1A1MEN1KMT2ADRD2
SCHEMBL4291007 0.78 HRH3 (0.54) HRH3ALDH1A1KDM4ECYP3A4CYP2C9

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 CYP2D6 569/4885CYP2C19 539/4885HRH3 7/4885

“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.