SCHEMBL6699692

SCHEMBL6699692

c1cc(Sc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 1.00
DDAH1 O94760 1/20 0.39
NOS1 P29475 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 3/20 0.32
S1PR1 P21453 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CCR5 P51681 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHKA P35790 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 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
SCHEMBL4424834 1.00 HRH3 (1.00) HRH3DDAH1NOS1MEN1KMT2A
SCHEMBL6701750 1.00 HRH3 (1.00) HRH3DDAH1NOS1MEN1KMT2A
SCHEMBL4294039 1.00 HRH3 (1.00) HRH3DDAH1NOS1MEN1KMT2A
SCHEMBL4294036 1.00 HRH3 (1.00) HRH3DDAH1NOS1MEN1KMT2A
SCHEMBL4300745 0.94 HRH3 (0.90) HRH3DDAH1NOS1MEN1KMT2A
SCHEMBL4297369 0.90 HRH3 (0.82) HRH3DDAH1NOS1MEN1KMT2A
SCHEMBL13660548 0.90 HRH3 (0.82) HRH3DDAH1NOS1MEN1KMT2A
SCHEMBL10721503 0.84 HRH3 (0.73) HRH3MEN1KMT2AKDM4ECHRNA7
SCHEMBL10720846 0.84 HRH3 (0.73) HRH3MEN1KMT2ACHRNA7ALDH1A1
SCHEMBL4301735 0.84 HRH3 (0.73) HRH3MEN1KMT2AKDM4EALDH1A1

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-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US claimed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 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 (2 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-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885DDAH1 828/4885NOS1 373/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885DDAH1 826/4885NOS1 421/4885

“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.