SCHEMBL3147123

SCHEMBL3147123

CN(C(=O)OC(C)(C)C)C1(COc2cnc(Cl)c(-c3cccc(C(=O)O)c3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.35
RXRA P19793 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DDT P30046 1/20 0.34
PTPN11 Q06124 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAP4K4 O95819 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
USP30 Q70CQ3 1/20 0.33
BRD4 O60885 1/20 0.33
RXRB P28702 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
SCHEMBL3779611 0.90 RXRA (0.35) PTGER1RXRANR1H2NR1H3DDT
SCHEMBL3137227 0.90 FFAR4 (0.36) MAP4K4FFAR4BRD4
SCHEMBL3776682 0.90 JMJD6 (0.36)
SCHEMBL3767931 0.90 RXRA (0.36) PTGER1RXRANR1H2NR1H3DDT
SCHEMBL3777334 0.85 KMO (0.39) RXRANR1H2NR1H3PTPN11RXRB
SCHEMBL3785603 0.84 FNTA (0.37) PTGER1DDTUSP30
SCHEMBL3781233 0.82 SYK (0.36) FFAR4
SCHEMBL3778732 0.80 MAP4K4 (0.34) MAP4K4BRD4
SCHEMBL3147019 0.79 FFAR4 (0.44) FFAR4
SCHEMBL3137050 0.78 FFAR4 (0.38) FFAR4

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 PTGER1 464/4885RXRA 38/4885NR1H2 77/4885

“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.