SCHEMBL803166

SCHEMBL803166

COC(=O)c1cc2c(cc1F)[C@H](NC(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
BDKRB1 P46663 1/20 0.36
ACHE P22303 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PDE10A Q9Y233 4/20 0.34
PIN1 Q13526 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL803164 0.95 SCN3A (0.37) SCN3AALDH1A1HPGDTSHRHSD17B10
SCHEMBL785977 0.86 ACHE (0.37) SCN3AACHEMAPTKDM4C
SCHEMBL785089 0.81 ACHE (0.37) SCN3ACA1CA2ACHEMAPT
SCHEMBL803251 0.78 ACHE (0.42) ALDH1A1HPGDTSHRHSD17B10ACHE
SCHEMBL803158 0.77 KMT2A (0.46) ALDH1A1CA1CA2ACHEKMT2A
Hydrochloric Acid SCHEMBL785261 0.77 ACHE (0.44) ALDH1A1HPGDTSHRHSD17B10ACHE
Hydrochloric Acid SCHEMBL785262 0.77 ACHE (0.44) ALDH1A1HPGDTSHRHSD17B10ACHE
SCHEMBL785280 0.74 ALDH1A1 (0.54) ALDH1A1BDKRB1KMT2AMEN1PDE10A
SCHEMBL785279 0.74 ALDH1A1 (0.54) ALDH1A1BDKRB1KMT2AMEN1PDE10A
SCHEMBL883735 0.74 RAB9A (0.42) ALDH1A1HPGDTSHRHSD17B10CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SCN3A 928/4885ALDH1A1 1267/4885HPGD 1082/4885

“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.