SCHEMBL13660514

SCHEMBL13660514

O=C1CC2CCCN2C(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
OPRM1 P35372 4/20 0.44
OPRK1 P41145 4/20 0.44
OPRL1 P41146 4/20 0.44
OPRD1 P41143 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
SLC18A3 Q16572 2/20 0.43
RIPK1 Q13546 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.40

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
SCHEMBL4293418 0.84 TSHR (0.47) CHRNA7LMNA
SCHEMBL9687368 0.84 TSHR (0.47) CHRNA7LMNA
SCHEMBL9153176 0.83 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9153287 0.81 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13660513 0.81 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13660580 0.81 ALDH1A1 (0.55) NPSR1ALDH1A1
SCHEMBL18751629 0.80 SLC18A3 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1989282 0.80 SLC18A3 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18751630 0.80 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10770079 0.80 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 1 patent. 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

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 CHRNB2 538/4885CHRNB4 632/4885CHRNA3 243/4885

“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.