SCHEMBL4300639

SCHEMBL4300639

c1cncc(Oc2ccc(C3CCC4CCCCN43)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
CHRNA7 P36544 3/20 0.44
CYP19A1 P11511 1/20 0.41
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 4/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA2 Q15822 2/20 0.39
MAPT P10636 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
PSIP1 O75475 1/20 0.39
TRPA1 O75762 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 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
SCHEMBL13660551 1.00 HRH3 (0.54) HRH3CHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL4297647 0.86 HRH3 (0.67) HRH3KDM4EMEN1KMT2A
SCHEMBL4297644 0.86 HRH3 (0.67) HRH3KDM4EMEN1KMT2A
SCHEMBL4297640 0.86 HRH3 (0.67) HRH3KDM4EMEN1KMT2A
SCHEMBL7022621 0.86 HRH3 (0.52) HRH3CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL4296903 0.86 HRH3 (0.52) HRH3CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL4295507 0.86 HRH3 (0.52) HRH3CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL4296909 0.86 HRH3 (0.52) HRH3CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL4295509 0.86 HRH3 (0.52) HRH3CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL4295503 0.86 HRH3 (0.52) HRH3CHRNB2CHRNA4CHRNA7CHRNB4

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 12 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 claimed
US-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 US claimed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US claimed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP claimed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US claimed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO claimed
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 HRH3 7/4885CHRNB2 642/4885CHRNA4 261/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CHRNB2 642/4885CHRNA4 261/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CHRNB2 642/4885CHRNA4 261/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885CHRNB2 538/4885CHRNA4 246/4885

“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.