SCHEMBL1623726

SCHEMBL1623726

CCc1nc2ccc(C)cc2n1-c1ccc(CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.42
NTRK2 Q16620 3/20 0.42
PDE10A Q9Y233 5/20 0.40
CYP1A2 P05177 2/20 0.40
PTGER4 P35408 1/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TP53 P04637 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
RECQL P46063 1/20 0.37
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL1625220 0.90 ESR1 (0.42) NTRK1NTRK2PDE10ACYP1A2ESR1
SCHEMBL1625182 0.90 PDE10A (0.47) NTRK1NTRK2PDE10APTGER4KCNH2
SCHEMBL1625189 0.87 AOC2 (0.40) PDE10ACYP1A2KCNH2MEN1KMT2A
SCHEMBL1624246 0.87 AGTR1 (0.43) NTRK1NTRK2PDE10ACYP1A2MEN1
SCHEMBL1623971 0.87 KCNH2 (0.41) NTRK1NTRK2PDE10ACYP1A2PTGER4
SCHEMBL1625265 0.87 CYP1A2 (0.44) NTRK1NTRK2PDE10ACYP1A2PTGER4
SCHEMBL10815607 0.86 PDE10A (0.46) PDE10ACYP1A2KCNH2ESR1ESR2
SCHEMBL1626167 0.85 ESR1 (0.41) NTRK1NTRK2PDE10ACYP1A2PTGER4
SCHEMBL1625077 0.85 PDE10A (0.47) NTRK1NTRK2PDE10ACYP1A2KCNH2
SCHEMBL1624977 0.84 NTRK1 (0.52) NTRK1NTRK2MEN1KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PFIZER INC. 2007-03-22 US disclosed
US-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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 (6 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 NTRK1 3557/4885NTRK2 3702/4885PDE10A 3240/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 NTRK1 2177/4885NTRK2 1928/4885PDE10A 2088/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 NTRK1 2177/4885NTRK2 1928/4885PDE10A 2088/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 NTRK1 3530/4885NTRK2 3668/4885PDE10A 3261/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES NTRK1 3135/4885NTRK2 3428/4885PDE10A 1514/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 NTRK1 1252/4885NTRK2 1946/4885PDE10A 1687/4885

“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.