SCHEMBL785092

SCHEMBL785092

O=C(O)c1ccc2c(c1)C(NC(=O)C1CCOCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
DRD3 P35462 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HTT P42858 3/20 0.38
POLB P06746 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
WDR5 P61964 3/20 0.38
ACKR3 P25106 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL785500 1.00 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL785097 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL785499 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL785068 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL785711 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL803568 0.87 KMT2A (0.46) CA12CA1CA2CA7CA9
SCHEMBL13131222 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL10277937 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL784469 0.78 HTT (0.62) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL784599 0.78 HTT (0.62) PDE4APDE4BPDE4CPDE4DHTT

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 2 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-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 CA12 4625/4885CA1 3936/4885CA2 2390/4885

“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.