SCHEMBL2980377

SCHEMBL2980377

CC(c1ccc(C(F)(F)F)cc1)n1c[c]nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GSK3B P49841 1/20 0.37
TEAD1 P28347 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PDE2A O00408 7/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL2820968 0.74 HCAR3 (0.31)
SCHEMBL20454191 0.70 HCAR3 (0.49) CES2CES1PTGDR2PDE2AKMT2A
SCHEMBL4947676 0.69 FLT1 (0.43) KMT2A
SCHEMBL2055563 0.69 EPHX1 (0.53) CES2CES1GSK3BPDE2AAKR1C3
SCHEMBL19024394 0.69 EPHX1 (0.53) CES2CES1GSK3BPDE2AAKR1C3
SCHEMBL11483545 0.68 CES2 (0.46) CES2CES1GSK3BTEAD1PTGDR2
SCHEMBL2971482 0.67 TRPA1 (0.34)
SCHEMBL28275205 0.67 CES2 (0.44) CES2CES1GSK3BTEAD1PTGDR2
SCHEMBL11315116 0.67 CES2 (0.46) CES2CES1GSK3BPDE2AAKR1C3
SCHEMBL29092145 0.66 PDE2A (0.44) PTGDR2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP claimed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP disclosed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 CES2 2226/4885CES1 1847/4885GSK3B 1171/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 CES2 2226/4885CES1 1847/4885GSK3B 1171/4885

“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.