SCHEMBL4295631

SCHEMBL4295631

COc1ccccc1C1CC2CCCCN2C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
DRD2 P14416 1/20 0.47
ABCB1 P08183 1/20 0.47
HTR2C P28335 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MCOLN1 Q9GZU1 1/20 0.44
TRPV6 Q9H1D0 1/20 0.43

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
SCHEMBL13660590 1.00 MEN1 (0.48) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL13663229 1.00 MEN1 (0.48) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL12896451 0.80 MEN1 (0.59) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL7890862 0.78 MEN1 (0.61) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL4295474 0.78 MEN1 (0.41) MEN1KMT2ASIGMAR1
SCHEMBL13660592 0.78 MEN1 (0.41) MEN1KMT2ASIGMAR1
SCHEMBL12897136 0.78 MEN1 (0.61) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL12896742 0.78 MEN1 (0.61) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL4293401 0.78 CYP2D6 (0.48) MEN1KMT2ADRD2ALDH1A1
SCHEMBL13660591 0.78 CYP2D6 (0.48) MEN1KMT2ADRD2ALDH1A1

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 4 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
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 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 (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 MEN1 2270/4885KMT2A 1283/4885DRD2 192/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 MEN1 2270/4885KMT2A 1283/4885DRD2 192/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 MEN1 2270/4885KMT2A 1283/4885DRD2 192/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 MEN1 2116/4885KMT2A 1231/4885DRD2 188/4885

“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.