SCHEMBL4430901

SCHEMBL4430901

CCN(C)C=Nc1cc(C)c(Oc2cccc(CCOC)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CYP2D6 P10635 2/20 0.33
AOC3 Q16853 1/20 0.33
ACHE P22303 3/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL4438741 0.91 FFAR1 (0.31) CYP2D6AOC3ACHEFFAR1FFAR4
SCHEMBL4430577 0.88 CYP4F2 (0.36) AOC3ACHEFFAR1FFAR4
SCHEMBL2987662 0.87 CYP4F2 (0.37) CYP2D6ACHEFFAR1FFAR4
SCHEMBL4428246 0.87 FFAR1 (0.31) AOC3ACHEFFAR1FFAR4
SCHEMBL2987664 0.87 CYP4F2 (0.37) CYP2D6ACHEFFAR1FFAR4
SCHEMBL2988680 0.86 NR1H2 (0.36) ACHEFFAR1FFAR4
SCHEMBL2988678 0.86 NR1H2 (0.36) ACHEFFAR1FFAR4
SCHEMBL4430696 0.86 ACHE (0.35) ACHEFFAR1FFAR4BCHE
SCHEMBL2985567 0.84
SCHEMBL2988752 0.84

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 ACACB 3709/4885ACACA 3091/4885CYP2D6 584/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 ACACB 3709/4885ACACA 3091/4885CYP2D6 584/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 ACACB 3709/4885ACACA 3091/4885CYP2D6 584/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 ACACB 3576/4885ACACA 2972/4885CYP2D6 569/4885

“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.