SCHEMBL3122841

SCHEMBL3122841

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.43
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
APLNR P35414 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL3109868 0.89 GLS (0.42) GLSHTR2CSLC6A4HDAC3HDAC1
SCHEMBL3115671 0.89 GLS (0.42) GLSPPARAPPARGHTR2CSLC6A4
SCHEMBL30616963 0.85 HTR2C (0.40) GLSPPARAPPARGHTR2CSLC6A4
SCHEMBL24289750 0.85 HTR2C (0.40) GLSPPARAPPARGHTR2CSLC6A4
SCHEMBL29077699 0.84 GLS (0.41) GLSHTR2CSLC6A4HDAC3HDAC1
SCHEMBL8169487 0.84 GLS (0.38) GLSHTR2CSLC6A4
SCHEMBL3105107 0.82 ADRB3 (0.41) GLSHTR2CSLC6A4GABRA1GABRB2
SCHEMBL3117976 0.81 GLS (0.37) GLSHTR2CSLC6A4
SCHEMBL3115144 0.81 CTSS (0.39) GLSHTR2CSLC6A4
SCHEMBL3108959 0.80 NR1H4 (0.45) GLSHTR2CSLC6A4RARBHDAC3

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
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

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 17/4885PPARA 3238/4885PPARG 3285/4885

“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.