SCHEMBL3773306

SCHEMBL3773306

CC(C)(C)N(CC1(COc2cnc(F)c(Br)c2)CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.32
CYP4F2 P78329 2/20 0.32
CNR2 P34972 1/20 0.32
PPARD Q03181 1/20 0.31

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
SCHEMBL3773664 0.88 CYP4A11 (0.31) CYP4A11CYP4F2
SCHEMBL3773047 0.87 LTC4S (0.33) CYP4A11CYP4F2
SCHEMBL3805236 0.82 CHRNB2 (0.35)
SCHEMBL3779566 0.82 CYP4F2 (0.32) CYP4A11CYP4F2PPARD
SCHEMBL3781401 0.81 FFAR4 (0.34)
SCHEMBL3780101 0.81 MAP4K4 (0.36)
SCHEMBL3779583 0.80 PDK2 (0.35)
SCHEMBL3779591 0.80 EGLN1 (0.38)
SCHEMBL3771949 0.79 CNR2 (0.37) CNR2
SCHEMBL3767791 0.79 FFAR4 (0.33)

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-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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 (2 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG CYP4A11 412/4885CYP4F2 345/4885CNR2 28/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 CYP4A11 1064/4885CYP4F2 1736/4885CNR2 4532/4885

“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.