SCHEMBL13660632

SCHEMBL13660632

c1cc(CNc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.31
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTBP1 P26599 1/20 0.31
ADAM17 P78536 1/20 0.31
ROCK2 O75116 1/20 0.30
CCR2 P41597 1/20 0.30
ROCK1 Q13464 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL4295615 1.00 HRH3 (0.46) HRH3NPC1LMNASIGMAR1MRGPRX1
SCHEMBL13660634 0.83 HRH3 (0.47) HRH3MAPT
SCHEMBL4295378 0.83 HRH3 (0.47) HRH3MAPT
SCHEMBL13660635 0.81 HRH3 (0.60) HRH3NAMPTALDH1A1MAPT
SCHEMBL4294095 0.81 HRH3 (0.60) HRH3NAMPTALDH1A1MAPT
SCHEMBL13660636 0.79 HRH3 (0.44) HRH3ALDH1A1MAPTOPRM1OPRD1
SCHEMBL6382452 0.79 HRH3 (0.44) HRH3ALDH1A1MAPTOPRM1OPRD1
SCHEMBL13660627 0.77 HRH3 (0.50) HRH3NAMPTALDH1A1MAPT
SCHEMBL4290390 0.77 HRH3 (0.50) HRH3NAMPTALDH1A1MAPT
SCHEMBL4292355 0.76 HRH3 (0.53) HRH3LMNAADAM17

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 7/4885NPC1 1655/4885LMNA 3905/4885

“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.