SCHEMBL13660612

SCHEMBL13660612

CCN(c1ccc([C@H]2CC[C@H]3CCCCN32)cc1)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
CYP3A4 P08684 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
LTA4H P09960 2/20 0.34
PGR P06401 4/20 0.32
CYP2C9 P11712 4/20 0.32
CYP2D6 P10635 3/20 0.32
NPY5R Q15761 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
FABP6 P51161 1/20 0.32
ENPP2 Q13822 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13660611 0.85 HRH3 (0.46) HRH3CYP3A4RORCLTA4HNPY5R
SCHEMBL4294088 0.78 HRH3 (0.52) HRH3MEN1KMT2AGAA
SCHEMBL4294084 0.78 HRH3 (0.52) HRH3MEN1KMT2AGAA
SCHEMBL13660608 0.77 HRH3 (0.51) HRH3CYP3A4MEN1KMT2APGR
SCHEMBL4433521 0.75 HRH3 (0.44) HRH3MEN1TSHRKMT2APOLB
SCHEMBL4433519 0.75 HRH3 (0.44) HRH3MEN1TSHRKMT2APOLB
SCHEMBL13660610 0.75 HRH3 (0.47) HRH3RORCFABP6
SCHEMBL4297703 0.73 HRH3 (0.55) HRH3RORCTSHR
SCHEMBL4297699 0.73 HRH3 (0.55) HRH3RORCTSHR
SCHEMBL4297695 0.73 HRH3 (0.55) HRH3RORCTSHR

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 2 patents. 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
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 HRH3 7/4885CYP3A4 439/4885RORC 359/4885

“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.