SCHEMBL499066

SCHEMBL499066

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PDK2 Q15119 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
UTS2R Q9UKP6 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
AHCY P23526 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4755953 0.81 KMT2A (0.45) MAPTMEN1KMT2AUTS2RDRD2
SCHEMBL499531 0.79 ERCC5 (0.43) MAPTPDK2MEN1KMT2ASLC6A4
SCHEMBL20889405 0.78 GPBAR1 (0.37) MAPTMEN1KMT2AUTS2RALDH1A1
SCHEMBL31462625 0.77 CCNE2 (0.37) PDK2KMT2AAHCYMCHR1HTR2C
SCHEMBL499983 0.76 HTR2C (0.35) MAPTPDK2AHCYMCHR1HTR2C
SCHEMBL499662 0.76 MAPT (0.38) MAPTPDK2UTS2RAHCYMCHR1
SCHEMBL31462607 0.73 CACNA1H (0.36) PDK2MEN1KMT2ADRD2DRD4
SCHEMBL499213 0.72 UTS2R (0.35) MAPTPDK2UTS2RAHCYMCHR1
SCHEMBL14050306 0.72 POLB (0.55) MAPTMEN1KMT2ADRD2DRD4
SCHEMBL21848475 0.72 KMT2A (0.58) MAPTPDK2MEN1KMT2AHTR2C

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 8 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-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
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
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 935/4885PDK2 2610/4885MEN1 2445/4885

“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.