SCHEMBL4453049

SCHEMBL4453049

[CH2]Cc1ccc(-n2cc(-c3ccccc3)nc2C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CXCR3 P49682 11/20 0.39
PTGS2 P35354 1/20 0.37
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL6177331 0.84 SMN1; SMN2 (0.39) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6173956 0.84 CXCR3 (0.40) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6173740 0.84 NPC1 (0.39) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6173373 0.82 SMN1; SMN2 (0.43) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL4453125 0.82 MAPT (0.39) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6175669 0.80 PTGS1 (0.54) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL4447659 0.80 MAPT (0.41) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL4456197 0.78 MAPT (0.40) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL4457149 0.75 AGER (0.51) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL10168099 0.70 PDE10A (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO claimed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US claimed
CN-1946391-A Combinations comprising alpha-2-delta ligands PFIZER PROD INC (US) 2007-04-11 CN claimed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP claimed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO claimed
US-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US claimed
EP-1494667-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP claimed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 US claimed
WO-2003086390-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO claimed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
CN-1946391-A Combinations comprising alpha-2-delta ligands PFIZER PROD INC (US) 2007-04-11 CN disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
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 (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-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 MAPT 4187/4885NPC1 3721/4885RAB9A 4246/4885
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES MAPT 2109/4885NPC1 959/4885RAB9A 1568/4885

“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.