SCHEMBL803695

SCHEMBL803695

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GPR119 Q8TDV5 7/20 0.43
ALDH1A1 P00352 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 1/20 0.42
LMNA P02545 1/20 0.40
SPTLC2 O15270 1/20 0.40
STS P08842 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
SCHEMBL785919 0.88 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL785447 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL785699 0.83 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL785014 0.82 ALDH1A1 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL785015 0.82 ALDH1A1 (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL785364 0.82 TAS1R3 (0.44) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL785762 0.82 ALDH1A1 (0.44) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784081 0.82 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL784261 0.82 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL784823 0.82 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2

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 USP30 4164/4885MEN1 2563/4885KMT2A 2222/4885

“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.