SCHEMBL3137227

SCHEMBL3137227

CN(C(=O)OC(C)(C)C)C1(COc2cnc(Cl)c(-c3ccc(C(=O)O)cc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.36
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MAP4K4 O95819 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
SRD5A2 P31213 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL3147123 0.90 PTGER1 (0.35) FFAR4MAP4K4BRD4
SCHEMBL3778732 0.90 MAP4K4 (0.34) GPR119MAP4K4BRD4CREBBPSRD5A2
SCHEMBL3781233 0.89 SYK (0.36) FFAR4CHRNB4CHRNA3CHRNA7RARA
SCHEMBL3773208 0.84 CHEK1 (0.40) GPR119MAP4K4
SCHEMBL3776682 0.82 JMJD6 (0.36)
SCHEMBL28929747 0.82 RXRA (0.41) GPR119SRD5A2
SCHEMBL3146681 0.80 CHRNB4 (0.45) FFAR4CHRNB4CHRNA3CHRNA7MAP4K4
SCHEMBL3779611 0.80 RXRA (0.35) BRD4CREBBP
SCHEMBL3151018 0.79 FFAR4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3767931 0.79 RXRA (0.36) GPR119BRD4CREBBP

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 3 patents. 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
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP 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 110/4885CHRNB4 16/4885CHRNA3 13/4885

“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.