SCHEMBL3280640

SCHEMBL3280640

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.52
CACNA1B Q00975 2/20 0.52
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CCR2 P41597 8/20 0.43
KMT2A Q03164 1/20 0.41
SCN9A Q15858 2/20 0.40
MAPK14 Q16539 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3274292 0.93 PREP (0.47) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL3274249 0.93 CACNA1H (0.49) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL3278221 0.92 NPC1 (0.47) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL15104131 0.86 NPC1 (0.49) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL15104149 0.85 CACNA1H (0.47) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL15103825 0.85 CCR2 (0.45) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL15103781 0.84 CACNA1H (0.47) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL15103945 0.84 NPC1 (0.47) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL15104222 0.84 SMN1; SMN2 (0.50) CACNA1HCACNA1BNPC1GAARAB9A
SCHEMBL15103922 0.84 SMN1; SMN2 (0.48) CACNA1HCACNA1BNPC1GAARAB9A

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 CACNA1H 997/4885CACNA1B 915/4885NPC1 2456/4885

“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.