SCHEMBL6945507

SCHEMBL6945507

CN(C)C(=O)C1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
ACE P12821 5/20 0.40
KMT2A Q03164 2/20 0.39
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
EPHX2 P34913 1/20 0.37
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL6951881 0.89 ACE (0.42) HSP90AA1HSP90AB1ACEKMT2AFABP5
SCHEMBL13259983 0.87 ACE (0.43) ACEKMT2AFABP5FABP7DPP8
SCHEMBL3366520 0.85 ACE (0.54) ACEKMT2AFABP5FABP7DPP8
SCHEMBL21899390 0.85 ACE (0.54) ACEKMT2AFABP5FABP7DPP8
SCHEMBL30951904 0.85 ACE (0.54) ACEKMT2AFABP5FABP7DPP8
SCHEMBL8294724 0.84 KMT2A (0.44) ACEKMT2AFABP5FABP7DPP8
SCHEMBL16541854 0.77 AVPR2 (0.42) KMT2A
SCHEMBL7533300 0.74 DPP8 (0.52) KMT2AFABP5FABP7DPP8DPP9
SCHEMBL18939766 0.74 FABP5 (0.41) ACEKMT2AFABP5FABP7DPP8
SCHEMBL119605 0.74 ACE (0.52) ACEFABP5FABP7

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-6596732-B2 Their solvates and/or hydrates exhibiting an affinity and a selectivity for arginine-vasopressin V1b receptors or for both V1b and V1a receptors. hormone known for its antidiuretic effect and its effect in regulating arterial pressure. SANOFI-SYNTHELABO (FR) 2003-07-22 US disclosed
US-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-06-12 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-20030109545-A1 Novel 1,3-dihydro-2h-indol-2-one, preparation method and pharmaceutical compositions containing same AVPR2, AVPR1B, AVPR1A HSP90AA1 2900/4885HSP90AB1 2658/4885ACE 1114/4885

“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.