SCHEMBL499263

SCHEMBL499263

CN(CCC(=O)c1cc(Cl)ccc1C1=NC(C)(C)CO1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
HTT P42858 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F10 P00742 4/20 0.33
NOS2 P35228 1/20 0.32
TP53 P04637 2/20 0.32
MDM2 Q00987 1/20 0.32
KLKB1 P03952 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
SCHEMBL499564 0.88 ATM (0.38) ATMHTTLMNAMAPTKDM4E
SCHEMBL499983 0.86 HTR2C (0.35) ATMHTTALDH1A1LMNAMAPT
SCHEMBL4757400 0.82
SCHEMBL499979 0.82
SCHEMBL499590 0.79 HTR2A (0.36) ATMHTTALDH1A1MAPTKDM4E
SCHEMBL499010 0.75 PDK2 (0.35) ATMHTTLMNAMAPT
SCHEMBL8081880 0.73 HTR2C (0.32) HTTLMNAMAPT
SCHEMBL4755953 0.72 KMT2A (0.45) ALDH1A1MAPTNOS2TP53
SCHEMBL499753 0.72 HTR2C (0.33) ATMHTTALDH1A1
SCHEMBL499754 0.72 HTR2C (0.33) ATMHTTALDH1A1

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
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
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO 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 ATM 4671/4885HTT 1270/4885KCNH2 3262/4885

“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.