SCHEMBL13660595

SCHEMBL13660595

C(=C/c1ccc([C@H]2CC[C@H]3CCCCN32)cc1)\c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HBB P68871 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
CHRNB2 P17787 2/20 0.33

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
SCHEMBL4296193 1.00 HRH3 (0.67) HRH3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7025469 1.00 HRH3 (0.67) HRH3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4296185 1.00 HRH3 (0.67) HRH3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6699692 0.81 HRH3 (1.00) HRH3MAPTKDM4EMEN1KMT2A
SCHEMBL4430247 0.81 HRH3 (0.67) HRH3SMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL4297640 0.81 HRH3 (0.67) HRH3KDM4EMEN1KMT2AKDR
SCHEMBL4430239 0.81 HRH3 (0.67) HRH3SMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL4424834 0.81 HRH3 (1.00) HRH3MAPTKDM4EMEN1KMT2A
SCHEMBL4297644 0.81 HRH3 (0.67) HRH3KDM4EMEN1KMT2AKDR
SCHEMBL6701750 0.81 HRH3 (1.00) HRH3MAPTKDM4EMEN1KMT2A

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 2 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 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 (1 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885SMN1; SMN2 4399/4885NPC1 1655/4885

“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.