SCHEMBL3274292

SCHEMBL3274292

O=C(NCC(=O)N1CCC(O)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CACNA1H O95180 3/20 0.44
CACNA1B Q00975 3/20 0.44
CXCR3 P49682 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CCR2 P41597 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KMT2A Q03164 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 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
SCHEMBL3280640 0.93 CACNA1H (0.52) NPC1GAARAB9ACACNA1HCACNA1B
SCHEMBL3274249 0.92 CACNA1H (0.49) NPC1GAARAB9ACACNA1HCACNA1B
SCHEMBL3278221 0.91 NPC1 (0.47) NPC1GAARAB9ACACNA1HCACNA1B
Hydrochloric Acid SCHEMBL3281099 0.89 PREP (0.43) PREPNPC1GAARAB9ACACNA1H
SCHEMBL15103960 0.87 CCR2 (0.50) PREPNPC1GAARAB9ACACNA1H
SCHEMBL15103770 0.87 USP5 (0.44) PREPNPC1GAARAB9ACACNA1H
SCHEMBL15104131 0.86 NPC1 (0.49) NPC1GAARAB9ACACNA1HCACNA1B
SCHEMBL15104149 0.85 CACNA1H (0.47) NPC1GAARAB9ACACNA1HCACNA1B
SCHEMBL15103825 0.84 CCR2 (0.45) NPC1GAARAB9ACACNA1HCACNA1B
SCHEMBL15103781 0.84 CACNA1H (0.47) NPC1GAARAB9ACACNA1HCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076491-B1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-07-17 EP disclosed
US-8481527-B2 Benzamide derivatives as bradykinin antagonists RICHTER GEDEON NYRT. (HU) 2013-07-09 US disclosed
US-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-08 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-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 PREP 390/4885NPC1 2456/4885GAA 3731/4885

“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.