SCHEMBL784559

SCHEMBL784559

O=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1Cl)CC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
PYGL P06737 4/20 0.52
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 2/20 0.45
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
WDR5 P61964 3/20 0.41
CRBN Q96SW2 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL784560 1.00 HPGD (0.55) HPGDPYGLTAS1R3TAS1R1TAS1R2
SCHEMBL785350 0.91 TAS1R3 (0.46) HPGDPYGLTAS1R3TAS1R1TAS1R2
SCHEMBL785383 0.91 TAS1R3 (0.46) HPGDPYGLTAS1R3TAS1R1TAS1R2
SCHEMBL803569 0.88 HPGD (0.52) HPGDPYGLTAS1R3TAS1R1TAS1R2
SCHEMBL785332 0.86 KMT2A (0.49) TAS1R3TAS1R1TAS1R2PDE10ANPC1
SCHEMBL785333 0.86 KMT2A (0.49) TAS1R3TAS1R1TAS1R2PDE10ANPC1
SCHEMBL484760 0.85 ALDH1A1 (0.61) PYGLTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL485126 0.85 ALDH1A1 (0.61) PYGLTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL785249 0.85 ALDH1A1 (0.61) PYGLTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2817253 0.84 TAS1R3 (0.53) PYGLTAS1R3TAS1R1TAS1R2PDE10A

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 7 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
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
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 HPGD 1082/4885PYGL 4635/4885TAS1R3 202/4885

“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.