SCHEMBL499153

SCHEMBL499153

CNCCC1(CCCNC(=O)OC)NC(=O)c2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CES1 P23141 1/20 0.33
IDO1 P14902 3/20 0.33
ALPL P05186 1/20 0.32
TDO2 P48775 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL499154 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CES1IDO1ALPLTDO2
SCHEMBL499359 0.89 CES1 (0.35) SMN1; SMN2CES1IDO1ALPLTDO2
SCHEMBL499623 0.88 TGM2 (0.35) IDO1
SCHEMBL499622 0.88 TGM2 (0.35) IDO1
SCHEMBL499008 0.84 CES1 (0.35) SMN1; SMN2CES1ALPL
SCHEMBL499413 0.76 REN (0.44)
SCHEMBL499412 0.76 REN (0.44)
SCHEMBL499411 0.76 REN (0.44)
SCHEMBL499563 0.76 CES1 (0.35) CES1IDO1TDO2
SCHEMBL499562 0.76 CES1 (0.35) CES1IDO1TDO2

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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP SMN1; SMN2 3254/4885CES1 275/4885IDO1 2162/4885

“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.