SCHEMBL664808

SCHEMBL664808

C=CCc1ccc(C)c(CN(C(=O)O)C2(C(C)(C)C)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP3A4 P08684 3/20 0.33
CNR2 P34972 2/20 0.33
PTGS1 P23219 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
XDH P47989 1/20 0.33
ALOX5 P09917 3/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
ALDH2 P05091 1/20 0.32
GAA P10253 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL662367 0.90 PPARA (0.34) PPARALMNAMEN1KMT2ACYP3A4
SCHEMBL663048 0.82
SCHEMBL664805 0.76 PPARA (0.34) PPARALMNAMEN1KMT2ACYP3A4
SCHEMBL4357159 0.73 KDM4E (0.37) PPARALMNAMEN1KMT2ACYP3A4
SCHEMBL4357162 0.71 PTGS1 (0.36) PPARALMNAMEN1KMT2ACYP3A4
SCHEMBL660635 0.70 REN (0.39) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL9003492 0.69 GABRA1 (0.49) PPARAMEN1KMT2ACYP3A4CNR2
SCHEMBL663588 0.68 ALDH1A1 (0.38) LMNAMEN1KMT2ATDP1L3MBTL1
SCHEMBL664806 0.68 HTR2A (0.37) PPARAMEN1KMT2APTGS1L3MBTL1
SCHEMBL664807 0.68 PPARA (0.34) PPARALMNAMEN1KMT2ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 PPARA 1405/4885LMNA 1559/4885MEN1 3395/4885

“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.