SCHEMBL1365112

SCHEMBL1365112

CC(=O)N1CC[C@@H](NC(=O)c2cnc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.53
HPGDS O60760 2/20 0.52
KDM5A P29375 2/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR7 P34969 1/20 0.48
KMT2A Q03164 2/20 0.47
USP30 Q70CQ3 1/20 0.46
CSNK1E P49674 1/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
MEN1 O00255 1/20 0.43
OPRL1 P41146 1/20 0.43
DYRK1A Q13627 1/20 0.43
GABRA5 P31644 1/20 0.43

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
SCHEMBL1366021 0.91 DRD2 (0.52) MAP4K4HPGDSKDM5ADRD2DRD4
SCHEMBL347402 0.87 HPGDS (0.50) HPGDSKDM5ADRD2DRD4HTR7
SCHEMBL348209 0.85 HPGDS (0.56) MAP4K4HPGDSDRD2DRD4HTR7
SCHEMBL1366139 0.84 HPGDS (0.51) HPGDSKDM5ADRD2DRD4HTR7
SCHEMBL1365756 0.84 HPGDS (0.55) MAP4K4HPGDSDRD2DRD4HTR7
SCHEMBL1365108 0.84 MAP4K4 (0.50) MAP4K4HPGDSDRD2DRD4HTR7
SCHEMBL1365697 0.82 MAP4K4 (0.49) MAP4K4HPGDSKDM5ADRD2DRD4
SCHEMBL1365865 0.80 DRD2 (0.77) HPGDSDRD2DRD4HTR7
SCHEMBL1367638 0.80 USP30 (0.53) MAP4K4HPGDSUSP30GABRA5
SCHEMBL1368210 0.80 HPGDS (0.55) MAP4K4HPGDSDRD2DRD4HTR7

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 MAP4K4 2071/4885HPGDS 99/4885KDM5A 1954/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S MAP4K4 2071/4885HPGDS 99/4885KDM5A 1954/4885

“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.