SCHEMBL4433519

SCHEMBL4433519

CCS(=O)(=O)N(c1ccc([C@H]2CC[C@H]3CCCCN32)cc1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CHRNA7 P36544 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
USP2 O75604 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4433521 1.00 HRH3 (0.44) HRH3CHRNA7MEN1KMT2APSEN1
SCHEMBL4294084 0.79 HRH3 (0.52) HRH3CHRNA7MEN1KMT2APSEN1
SCHEMBL4294088 0.79 HRH3 (0.52) HRH3CHRNA7MEN1KMT2APSEN1
SCHEMBL13660608 0.78 HRH3 (0.51) HRH3MEN1KMT2ALMNAHTT
SCHEMBL4296876 0.77 HRH3 (0.41) HRH3CHRNA7
SCHEMBL4297699 0.76 HRH3 (0.55) HRH3USP2ALDH1A1TSHRHSD17B10
SCHEMBL4297703 0.76 HRH3 (0.55) HRH3USP2ALDH1A1TSHRHSD17B10
SCHEMBL4297695 0.76 HRH3 (0.55) HRH3USP2ALDH1A1TSHRHSD17B10
SCHEMBL13660612 0.75 HRH3 (0.44) HRH3MEN1KMT2APOLBTSHR
SCHEMBL13660540 0.74 HRH3 (0.52) HRH3CHRNA7OPRM1OPRD1OPRK1

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 7/4885CHRNA7 339/4885MEN1 2270/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CHRNA7 339/4885MEN1 2270/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CHRNA7 339/4885MEN1 2270/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885CHRNA7 306/4885MEN1 2116/4885

“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.