SCHEMBL13660561

SCHEMBL13660561

O=C(O)c1ccc(Sc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.67
CFB P00751 6/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
SRD5A2 P31213 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HCAR3 P49019 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
SCHEMBL13663209 0.85 HRH3 (0.67) HRH3CHRM2CHRM1
SCHEMBL13660562 0.81 HRH3 (0.62) HRH3KMT2ACHRM2CHRM1
SCHEMBL4301730 0.81 HRH3 (0.73) HRH3KDM4EKMT2AALDH1A1CHRM2
SCHEMBL4301735 0.81 HRH3 (0.73) HRH3KDM4EKMT2AALDH1A1CHRM2
SCHEMBL4301727 0.81 HRH3 (0.73) HRH3KDM4EKMT2AALDH1A1CHRM2
SCHEMBL10721503 0.81 HRH3 (0.73) HRH3KDM4EKMT2AALDH1A1
SCHEMBL10720846 0.81 HRH3 (0.73) HRH3KMT2AALDH1A1CHRM2CHRM1
SCHEMBL7025858 0.81 HRH3 (0.73) HRH3KDM4EKMT2AALDH1A1CHRM2
SCHEMBL10717944 0.81 HRH3 (0.61) HRH3KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL6701750 0.80 HRH3 (1.00) HRH3KDM4EKMT2AALDH1A1CHRM2

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 7/4885CFB 2251/4885RARB 4410/4885

“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.