SCHEMBL3115671

SCHEMBL3115671

CCCCc1cc(CN(C)C(=O)OC(C)(C)C)ccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.42
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
APLNR P35414 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
LMNA P02545 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 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
SCHEMBL3117164 0.90 GLS (0.41) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL3122841 0.89 GLS (0.43) GLSHTR2CSLC6A4APLNRHDAC3
SCHEMBL24288915 0.85 GLS (0.40) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL3109458 0.82 CTSL (0.38) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL3881728 0.81 GLS (0.40) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL30965056 0.81 GLS (0.40) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL3105133 0.80 GLS (0.39) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL3110201 0.80 GLS (0.43) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL30964962 0.79 GLS (0.40) GLSHTR2CSLC6A4ALDH1A1HTT
SCHEMBL1323637 0.78 ALDH1A1 (0.58) GLSHTR2CSLC6A4ALDH1A1HTT

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-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
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 GLS 17/4885HTR2C 4475/4885SLC6A4 2225/4885

“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.