SCHEMBL499662

SCHEMBL499662

Cc1ccc(Cl)cc1C(O)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
UTS2R Q9UKP6 3/20 0.35
AHCY P23526 1/20 0.35
MCHR1 Q99705 1/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
FDFT1 P37268 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL499150 0.82 MAPT (0.38) MAPTUTS2RAHCYMCHR1HTR2C
SCHEMBL499213 0.82 UTS2R (0.35) MAPTUTS2RAHCYMCHR1HTR2C
SCHEMBL498970 0.80 UTS2R (0.34) MAPTUTS2RAHCYKDM4EGAA
SCHEMBL499535 0.80 RIPK1 (0.38) SLC6A4
SCHEMBL498979 0.78 UTS2R (0.33) MAPTUTS2RAHCYPDK2KDM4E
SCHEMBL499588 0.78 IDO1 (0.39) MAPTUTS2RAHCYKDM4EALDH1A1
SCHEMBL31462773 0.77 CCNE2 (0.35) UTS2RMCHR1HTR2CSLC6A4PDK2
SCHEMBL499066 0.76 MAPT (0.39) MAPTUTS2RAHCYMCHR1HTR2C
SCHEMBL4756782 0.74 IDO1 (0.37) MAPTAHCYKDM4EALDH1A1LMNA
SCHEMBL31462720 0.74 AHCY (0.37) MAPTAHCYKDM4EGAAMAPK1

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 5 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-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
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 MAPT 935/4885UTS2R 520/4885AHCY 1190/4885

“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.