SCHEMBL3779567

SCHEMBL3779567

CC(C)(C)CN(C(=O)O)C1(COc2cnc(F)c(-c3ccncc3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.32
KDM1A O60341 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
SLC22A12 Q96S37 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
SCHEMBL3779585 0.91 CYP11B1 (0.36) THRATHRBCYP11B1CYP11B2
SCHEMBL3777923 0.89 THRA (0.36) FFAR4THRATHRB
SCHEMBL3150873 0.85 CYP11B1 (0.35) FFAR4CYP4F2CYP4A11CYP11B1CYP11B2
SCHEMBL3782752 0.80 FFAR4 (0.41) FFAR4THRATHRB
SCHEMBL3778603 0.80 MALT1 (0.38)
SCHEMBL3779566 0.79 CYP4F2 (0.32) FFAR4KDM1ACYP4F2CYP4A11SLC22A12
SCHEMBL3776422 0.78 CHRNB1 (0.41) CYP11B1CYP11B2
SCHEMBL3780145 0.77 MAPT (0.34) FFAR4CYP11B1CYP11B2SLC22A12
SCHEMBL3771899 0.77 LTB4R (0.35) THRB
SCHEMBL3778998 0.76 CYP11B2 (0.36) CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG FFAR4 110/4885KDM1A 1957/4885THRA 234/4885

“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.