SCHEMBL4297429

SCHEMBL4297429

CCCOc1c(I)cccc1C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.46
SLC6A4 P31645 8/20 0.46
SLC6A3 Q01959 6/20 0.46
HTR1A P08908 6/20 0.46
HTR2C P28335 6/20 0.44
HTR6 P50406 5/20 0.41
IKBKB O14920 1/20 0.39

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
SCHEMBL6783764 0.78 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL6926596 0.77 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL2578334 0.72 HTR2C (0.39) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL6925353 0.71 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL11836887 0.71 HTR2C (0.60) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL15000426 0.70 HTR2C (0.47) SLC6A2SLC6A4SLC6A3HTR2CHTR6
SCHEMBL11827483 0.70 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL23426487 0.69 IKBKB (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL30896675 0.69 HTR2C (0.50) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL19510572 0.69 CHRM2 (0.49) HTR1AHTR2C

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 6 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-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 US disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US disclosed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO 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 (4 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-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 SLC6A2 644/4885SLC6A4 288/4885SLC6A3 816/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 SLC6A2 644/4885SLC6A4 288/4885SLC6A3 816/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 SLC6A2 644/4885SLC6A4 288/4885SLC6A3 816/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 SLC6A2 555/4885SLC6A4 270/4885SLC6A3 781/4885

“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.