SCHEMBL13660560

SCHEMBL13660560

Nc1ccc(Sc2ccc([C@@H]3CCC[C@@H]4CCCN43)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.59
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL4295497 1.00 HRH3 (0.59) HRH3CYP3A4TSHRMAPK1SLC18A3
SCHEMBL4301730 0.90 HRH3 (0.73) HRH3CYP3A4TSHRMAPK1SLC18A3
SCHEMBL4301735 0.90 HRH3 (0.73) HRH3CYP3A4TSHRMAPK1SLC18A3
SCHEMBL7025858 0.90 HRH3 (0.73) HRH3CYP3A4TSHRMAPK1SLC18A3
SCHEMBL4301727 0.90 HRH3 (0.73) HRH3CYP3A4TSHRMAPK1SLC18A3
SCHEMBL13660548 0.84 HRH3 (0.82) HRH3MEN1MAPTKMT2A
SCHEMBL4297369 0.84 HRH3 (0.82) HRH3MEN1MAPTKMT2A
SCHEMBL4300745 0.80 HRH3 (0.90) HRH3OPRM1OPRK1OPRL1OPRD1
SCHEMBL4295473 0.80 HRH3 (0.53) HRH3MAPK1SLC18A3MEN1MAPT
SCHEMBL13660549 0.80 HRH3 (0.53) HRH3MAPK1SLC18A3MEN1MAPT

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 7/4885CYP3A4 439/4885TSHR 2532/4885

“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.

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