SCHEMBL6167751

SCHEMBL6167751

CCC(=N)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
CA2 P00918 5/20 0.48
CA1 P00915 3/20 0.48
NQO2 P16083 1/20 0.46
CNR1 P21554 2/20 0.43
CYP17A1 P05093 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPRB P23467 1/20 0.43
LMNA P02545 1/20 0.43
PTPN11 Q06124 1/20 0.43
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42
DRD2 P14416 1/20 0.42
CTSK P43235 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
SCHEMBL19889032 0.87 NAMPT (0.61) NAMPTCA2CA1CNR1CYP17A1
SCHEMBL16193024 0.83 NAMPT (0.62) NAMPTCA2CA1CYP17A1MAPT
SCHEMBL16626939 0.82 NAMPT (0.61) NAMPTCA2CA1CNR1CYP17A1
SCHEMBL23291264 0.81 NAMPT (0.57) NAMPTCA2CA1NQO2MAPT
SCHEMBL7015585 0.81 NAMPT (0.59) NAMPTCA2CA1NQO2CYP17A1
SCHEMBL6184546 0.81 CNR1 (0.49) CNR1MAPTLMNAKMT2A
SCHEMBL27741035 0.81 CA2 (0.56) NAMPTCA2CA1NQO2MAPT
SCHEMBL19889238 0.81 NAMPT (0.60) NAMPTCA2CA1CNR1CYP17A1
SCHEMBL19889037 0.81 NAMPT (0.60) NAMPTCA2CA1CNR1CYP17A1
SCHEMBL2876045 0.81 NAMPT (0.60) NAMPTCA2CA1CNR1CYP17A1

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-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
EP-1494667-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 US disclosed
WO-2003086390-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES NAMPT 1992/4885CA2 608/4885CA1 2155/4885

“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.