SCHEMBL785332

SCHEMBL785332

O=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
WDR5 P61964 1/20 0.46
DHODH Q02127 1/20 0.46
CTSS P25774 1/20 0.46
TUBB4A P04350 1/20 0.46

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
SCHEMBL785333 1.00 KMT2A (0.49) KMT2AMEN1HTTTAS1R3TAS1R1
SCHEMBL784599 0.89 HTT (0.62) KMT2AMEN1HTTTAS1R3TAS1R1
SCHEMBL784469 0.89 HTT (0.62) KMT2AMEN1HTTTAS1R3TAS1R1
SCHEMBL803192 0.87 PDE4A (0.52) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL785350 0.86 TAS1R3 (0.46) KMT2AMEN1HTTTAS1R3TAS1R1
SCHEMBL785383 0.86 TAS1R3 (0.46) KMT2AMEN1HTTTAS1R3TAS1R1
SCHEMBL784560 0.86 HPGD (0.55) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL784559 0.86 HPGD (0.55) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL784977 0.84 TAS1R3 (0.50) KMT2AMEN1HTTTAS1R3TAS1R1
SCHEMBL784803 0.84 TAS1R3 (0.50) KMT2AMEN1HTTTAS1R3TAS1R1

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 KMT2A 2222/4885MEN1 2563/4885HTT 2709/4885

“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.