SCHEMBL13660581

SCHEMBL13660581

COc1ccc([C@@H]2CCC[C@@H]3CCCN32)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4295594 1.00 ALDH1A1 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL10770146 0.95 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL28534124 0.95 ALDH1A1 (0.53) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL4295389 0.89 HRH3 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL4295384 0.89 HRH3 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL4295391 0.89 HRH3 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL4295387 0.89 HRH3 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL13660536 0.89 HRH3 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL13660580 0.84 ALDH1A1 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL4296694 0.78 TSHR (0.46) TSHR

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 ALDH1A1 2994/4885TSHR 2532/4885KDM4E 2041/4885

“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.