SCHEMBL2065664

SCHEMBL2065664

O=C(O)CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 1/20 0.38
AKR1B1 P15121 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2065663 1.00 PPARG (0.46) PPARGNR2E3NCOR2ALDH1A1AKR1B1
SCHEMBL2066366 0.94 PPARG (0.40) PPARGNR2E3NCOR2KMT2A
SCHEMBL2066365 0.94 PPARG (0.40) PPARGNR2E3NCOR2KMT2A
SCHEMBL2065658 0.77 CALCRL (0.45) PPARGNR2E3NCOR2ALDH1A1KMT2A
SCHEMBL2065660 0.77 CALCRL (0.45) PPARGNR2E3NCOR2ALDH1A1KMT2A
SCHEMBL2065331 0.76 CALCRL (0.54)
SCHEMBL2065333 0.76 CALCRL (0.54)
SCHEMBL10246535 0.74 CALCRL (0.59)
SCHEMBL14069186 0.73 LMNA (0.39) PPARGNR2E3NCOR2ALDH1A1KMT2A
SCHEMBL10245855 0.69 PPARG (0.68) PPARGNR2E3NCOR2ALDH1A1CYP1A2

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
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL PPARG 2763/4885NR2E3 862/4885NCOR2 1708/4885

“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.