SCHEMBL2804936

SCHEMBL2804936

COC(=O)CCN1C(=O)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.51
DRD2 P14416 4/20 0.51
DRD5 P21918 3/20 0.51
DRD3 P35462 3/20 0.51
NOTUM Q6P988 2/20 0.50
HTR1A P08908 4/20 0.48
DRD4 P21917 1/20 0.46
CASP3 P42574 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL18883324 0.89 NOTUM (0.54) DRD2DRD3NOTUMCASP3KDM4E
SCHEMBL29564490 0.86 NOTUM (0.52) HTR7DRD2DRD5DRD3NOTUM
SCHEMBL9828361 0.81 NOTUM (0.46) NOTUMCASP3KDM4EALDH1A1
SCHEMBL30404097 0.80 HTR7 (0.54) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL578249 0.80 HTR7 (0.54) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL7280026 0.78 NPSR1 (0.62) ALDH1A1
SCHEMBL6696116 0.78 HTR7 (0.57) HTR7DRD2DRD5DRD3NOTUM
SCHEMBL8240109 0.78 HTR7 (0.57) HTR7DRD2DRD5DRD3NOTUM
SCHEMBL7270605 0.77 HSD17B10 (0.46) NOTUMCASP3KDM4EALDH1A1
SCHEMBL27719562 0.76 HTR7 (0.50) HTR7DRD2DRD5DRD3NOTUM

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-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 HTR7 2043/4885DRD2 4865/4885DRD5 4817/4885

“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.