SCHEMBL13660617

SCHEMBL13660617

CN(C(=O)CCN1CCCCC1)c1ccc([C@H]2CC[C@H]3CCCCN32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
CHRNA7 P36544 2/20 0.37
ALDH1A1 P00352 7/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 4/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL13660619 0.79 HRH3 (0.44) HRH3CHRNA7
SCHEMBL4296876 0.78 HRH3 (0.41) HRH3CHRNA7
SCHEMBL13660613 0.78 ALDH1A1 (0.56) ALDH1A1LMNATSHRKMT2AMAPT
SCHEMBL4297717 0.77 HRH3 (0.44) HRH3ALDH1A1LMNAGFER
SCHEMBL4297714 0.77 HRH3 (0.44) HRH3ALDH1A1LMNAGFER
SCHEMBL4295486 0.77 HRH3 (0.42) HRH3ALDH1A1LMNAUSP2MAPT
SCHEMBL4301720 0.77 HRH3 (0.42) HRH3CHRNA7
SCHEMBL4295493 0.77 HRH3 (0.42) HRH3ALDH1A1LMNAUSP2MAPT
SCHEMBL4297699 0.76 HRH3 (0.55) HRH3ALDH1A1TSHRUSP2HSD17B10
SCHEMBL4297703 0.76 HRH3 (0.55) HRH3ALDH1A1TSHRUSP2HSD17B10

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 HRH3 7/4885CHRNA7 306/4885ALDH1A1 2994/4885

“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.