SCHEMBL13660577

SCHEMBL13660577

Oc1ccc([C@@H]2CCC[C@@H]3CCCN32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
ESR2 Q92731 2/20 0.41
ESR1 P03372 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL4290382 1.00 HRH3 (0.46) HRH3ESR2ESR1OPRM1OPRD1
SCHEMBL4297685 0.88 HRH3 (0.58) HRH3ESR2ESR1
SCHEMBL4297688 0.88 HRH3 (0.58) HRH3ESR2ESR1
SCHEMBL4297683 0.88 HRH3 (0.58) HRH3ESR2ESR1
SCHEMBL9688425 0.82 TSHR (0.46) HRH3OPRM1OPRD1OPRK1CHRNA7
SCHEMBL9688416 0.82 TSHR (0.46) HRH3OPRM1OPRD1OPRK1CHRNA7
SCHEMBL4296694 0.82 TSHR (0.46) HRH3OPRM1OPRD1OPRK1CHRNA7
SCHEMBL13660513 0.81 CHRNB2 (0.56) HRH3OPRM1OPRD1OPRK1CHRNB2
Hydrochloric Acid SCHEMBL9688480 0.81 CYP19A1 (0.47) HRH3OPRM1OPRD1OPRK1CHRNA7
SCHEMBL13660581 0.78 ALDH1A1 (0.55)

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 7/4885ESR2 3214/4885ESR1 2851/4885

“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.