SCHEMBL3102227

SCHEMBL3102227

COC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
GLS O94925 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 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
SCHEMBL3107114 0.88 GLS (0.38) KDM4EALDH1A1HPGDCRHBPCRHR2
SCHEMBL3109327 0.88 CTSL (0.41) KDM4EALDH1A1HPGDCRHBPCRHR2
SCHEMBL3109458 0.84 CTSL (0.38) KDM4EALDH1A1HPGDCRHBPCRHR2
SCHEMBL30965056 0.83 GLS (0.40) KDM4EALDH1A1HPGDGLSLMNA
SCHEMBL3881728 0.83 GLS (0.40) KDM4EALDH1A1HPGDGLSLMNA
SCHEMBL3117164 0.82 GLS (0.41) KDM4EALDH1A1HPGDCTSLCTSB
SCHEMBL3110201 0.82 GLS (0.43) KDM4EALDH1A1HPGDCTSLCTSB
SCHEMBL3105133 0.82 GLS (0.39) KDM4EALDH1A1HPGDCTSLCTSB
SCHEMBL20095410 0.81 CTSL (0.38) ALDH1A1HPGDCTSLCTSBCTSS
SCHEMBL30964962 0.81 GLS (0.40) KDM4EALDH1A1HPGDCTSLCTSB

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-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 2540/4885ALDH1A1 1625/4885HPGD 604/4885

“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.