SCHEMBL499213

SCHEMBL499213

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.35
PDK2 Q15119 1/20 0.34
MAPT P10636 1/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
AHCY P23526 1/20 0.32
MCHR1 Q99705 1/20 0.31
IDO1 P14902 1/20 0.31

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 0.91 MAPT (0.38) UTS2RPDK2MAPTHTR2CSLC6A4
SCHEMBL498979 0.86 UTS2R (0.33) UTS2RPDK2MAPTKDM4EGAA
SCHEMBL499588 0.85 IDO1 (0.39) UTS2RMAPTKDM4EAHCYIDO1
SCHEMBL498970 0.84 UTS2R (0.34) UTS2RMAPTKDM4EGAAAHCY
SCHEMBL499224 0.82 AOC3 (0.40) UTS2RPDK2KDM4EIDO1
SCHEMBL4756782 0.82 IDO1 (0.37) MAPTKDM4EAHCYIDO1
SCHEMBL499662 0.82 MAPT (0.38) UTS2RPDK2MAPTHTR2CSLC6A4
SCHEMBL4757403 0.76 MAPT (0.42) UTS2RMAPTKDM4EGAAMAPK1
SCHEMBL499149 0.73 SMN1; SMN2 (0.35) MAPTKDM4E
SCHEMBL499066 0.72 MAPT (0.39) UTS2RPDK2MAPTHTR2CSLC6A4

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 4 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

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 UTS2R 520/4885PDK2 2610/4885MAPT 935/4885

“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.