SCHEMBL10246042

SCHEMBL10246042

O=C1NC2(CCCCc3ccccc32)C(=O)N1CC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.64
NR2E3 Q9Y5X4 1/20 0.64
NCOR2 Q9Y618 1/20 0.64
CASP6 P55212 1/20 0.62
ALDH1A1 P00352 1/20 0.54
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL10245855 0.96 PPARG (0.68) PPARGNR2E3NCOR2CASP6ALDH1A1
SCHEMBL10245925 0.91 PPARG (0.58) PPARGNR2E3NCOR2CASP6LMNA
SCHEMBL14069336 0.84 CASP6 (0.58) PPARGNR2E3NCOR2CASP6ALDH1A1
SCHEMBL20989111 0.78 CASP6 (0.59) PPARGNR2E3NCOR2CASP6ALDH1A1
SCHEMBL17604956 0.77 ALDH1A1 (0.71) PPARGNR2E3NCOR2CASP6ALDH1A1
SCHEMBL10246102 0.77 KMT2A (0.57) PPARGNR2E3NCOR2ALDH1A1MAPT
SCHEMBL10246077 0.77 PPARG (0.43) PPARGNR2E3NCOR2CASP6ALDH1A1
SCHEMBL20359385 0.76 ALDH1A1 (0.69) PPARGNR2E3NCOR2CASP6ALDH1A1
SCHEMBL10246167 0.76 EP300 (0.46) PPARGNR2E3NCOR2HPGDCYP2C19
SCHEMBL10246033 0.76 PPARG (0.43) PPARGNR2E3NCOR2CASP6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US 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
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 WO 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.