SCHEMBL3108959

SCHEMBL3108959

Cc1cc(CN(C)C(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
RXRA P19793 2/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
GLS O94925 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
RXRB P28702 2/20 0.40
RARB P10826 1/20 0.39
STAT5B P51692 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL7936706 0.89 HTR2C (0.42) NR1H4HTR2CSLC6A4GLSHDAC3
SCHEMBL30952689 0.89 HTR2C (0.42) NR1H4HTR2CSLC6A4GLSHDAC3
SCHEMBL30965056 0.87 GLS (0.40) NR1H4HTR2CSLC6A4GLSHDAC3
SCHEMBL3881728 0.87 GLS (0.40) NR1H4HTR2CSLC6A4GLSHDAC3
SCHEMBL3116212 0.85 LTA4H (0.42) HTR2CSLC6A4GLSSTAT5BCTSL
SCHEMBL3109868 0.85 GLS (0.42) HTR2CSLC6A4GLSHDAC3HDAC1
SCHEMBL24289750 0.84 HTR2C (0.40) NR1H4HTR2CSLC6A4GLSHDAC3
SCHEMBL30616963 0.84 HTR2C (0.40) NR1H4HTR2CSLC6A4GLSHDAC3
SCHEMBL3113320 0.84 PPARG (0.49) HTR2CSLC6A4GLS
SCHEMBL3110201 0.83 GLS (0.43) HTR2CSLC6A4GLSHDAC3HDAC1

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 NR1H4 788/4885RXRA 1022/4885HTR2C 4475/4885

“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.