SCHEMBL1367288

SCHEMBL1367288

CC(C)(C)C(=O)N1CCC(NC(=O)c2cnc(-c3cccc(C(F)(F)F)c3)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.49
PAK1 Q13153 1/20 0.47
EPHX2 P34913 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGDS O60760 3/20 0.45
DRD4 P21917 2/20 0.44
CXCR3 P49682 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
RPS6KB1 P23443 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
CYP3A4 P08684 1/20 0.43
F2R P25116 1/20 0.42

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
SCHEMBL1365756 0.88 HPGDS (0.55) MEN1KMT2AHPGDSDRD4
SCHEMBL1367323 0.87 HPGDS (0.51) EPHX2ALDH1A1HPGDS
SCHEMBL1365957 0.86 L3MBTL1 (0.46) EPHX2MEN1KMT2AHPGDS
SCHEMBL1364287 0.86 SMYD3 (0.46) MEN1KMT2AALDH1A1HPGDSCYP2C19
SCHEMBL1367699 0.85 HPGDS (0.47) EPHX2MEN1KMT2AALDH1A1HPGDS
SCHEMBL1367385 0.84 DRD4 (0.42) MEN1KMT2AHPGDSDRD4CYP2C19
SCHEMBL1366918 0.83 HPGDS (0.65) PAK1ALDH1A1HPGDSDRD4
SCHEMBL1367814 0.80 MEN1 (0.44) EPHX2MEN1KMT2AHPGDSCYP2C9
SCHEMBL1364455 0.79 DRD4 (0.59) HPGDSDRD4
SCHEMBL1367087 0.78 WNT1 (0.44) MEN1KMT2AHPGDSDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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 (2 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S PHGDH 1233/4885PAK1 3327/4885EPHX2 319/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S PHGDH 1233/4885PAK1 3327/4885EPHX2 319/4885

“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.