SCHEMBL13660611

SCHEMBL13660611

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
RORC P51449 1/20 0.45
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
CYP3A4 P08684 1/20 0.36
NPY5R Q15761 7/20 0.36
LTA4H P09960 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL13660612 0.85 HRH3 (0.44) HRH3RORCCYP3A4NPY5RLTA4H
SCHEMBL13660608 0.82 HRH3 (0.51) HRH3CYP3A4ALDH1A1LMNAGAA
SCHEMBL4294084 0.80 HRH3 (0.52) HRH3ALDH1A1LMNAGAA
SCHEMBL4294088 0.80 HRH3 (0.52) HRH3ALDH1A1LMNAGAA
SCHEMBL4297695 0.78 HRH3 (0.55) HRH3RORCALDH1A1
SCHEMBL4297703 0.78 HRH3 (0.55) HRH3RORCALDH1A1
SCHEMBL4297699 0.78 HRH3 (0.55) HRH3RORCALDH1A1
SCHEMBL13660610 0.78 HRH3 (0.47) HRH3RORCFPR2PROKR1ALDH1A1
SCHEMBL4433521 0.73 HRH3 (0.44) HRH3POLBALDH1A1LMNA
SCHEMBL4433519 0.73 HRH3 (0.44) HRH3POLBALDH1A1LMNA

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 7/4885RORC 359/4885FPR2 309/4885

“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.