SCHEMBL803760

SCHEMBL803760

CC(C)(C)OC(=O)NC1CCOc2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CTSD P07339 4/20 0.38
BACE1 P56817 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNA7 P36544 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL25276135 0.90 TBXA2R (0.36) NPC1RAB9ACTSDBACE1TDP1
SCHEMBL25235942 0.90 TBXA2R (0.36) NPC1RAB9ACTSDBACE1TDP1
SCHEMBL803515 0.90 KDM4D (0.43) GAACTSDBACE1NFKB1NFKB2
SCHEMBL25824938 0.86 GAA (0.40) GAACTSDBACE1NFKB1NFKB2
SCHEMBL8122445 0.85 TRPV1 (0.48) CTSDBACE1TRPV1
SCHEMBL12709612 0.85 TRPV1 (0.45) GAACTSDBACE1MAPTALDH1A1
SCHEMBL8279283 0.85 GAA (0.40) GAACTSDBACE1NFKB1NFKB2
SCHEMBL4146006 0.85 AAK1 (0.41) GAANPC1RAB9ACTSDBACE1
SCHEMBL8276392 0.85 GAA (0.40) GAACTSDBACE1NFKB1NFKB2
SCHEMBL4135566 0.83 KDM4E (0.40) GAANPC1RAB9ACTSDBACE1

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 GAA 3227/4885NPC1 2033/4885RAB9A 1673/4885

“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.