SCHEMBL4429790

SCHEMBL4429790

Clc1ccc(Cc2ccc([C@@H]3CC[C@H]4CCCCN43)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
LTA4H P09960 4/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 1/20 0.38
CHIT1 Q13231 1/20 0.38
CHIA Q9BZP6 1/20 0.38
CHRNA7 P36544 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
HPGD P15428 1/20 0.37
HSD11B1 P28845 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL4429786 1.00 HRH3 (0.51) HRH3LTA4HKDM4EALDH1A1KCNH2
SCHEMBL4429788 1.00 HRH3 (0.51) HRH3LTA4HKDM4EALDH1A1KCNH2
SCHEMBL4430244 0.84 HRH3 (0.67) HRH3LTA4HKDM4EALDH1A1KCNH2
SCHEMBL4430239 0.84 HRH3 (0.67) HRH3LTA4HKDM4EALDH1A1KCNH2
SCHEMBL4430247 0.84 HRH3 (0.67) HRH3LTA4HKDM4EALDH1A1KCNH2
SCHEMBL10721503 0.83 HRH3 (0.73) HRH3KDM4EALDH1A1CHRNA7PSEN1
Hydrochloric Acid SCHEMBL10764189 0.82 HRH3 (0.71) HRH3KDM4ECHRNA7PSEN1PSEN2
Hydrochloric Acid SCHEMBL10764187 0.82 HRH3 (0.71) HRH3KDM4ECHRNA7PSEN1PSEN2
Hydrochloric Acid SCHEMBL10764180 0.82 HRH3 (0.71) HRH3KDM4ECHRNA7PSEN1PSEN2
SCHEMBL10721623 0.78 HRH3 (0.52) HRH3LTA4HHSD11B1

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 8 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
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US 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
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 HRH3 7/4885LTA4H 427/4885KDM4E 2037/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885LTA4H 427/4885KDM4E 2037/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885LTA4H 427/4885KDM4E 2037/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885LTA4H 399/4885KDM4E 2041/4885

“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.