SCHEMBL1625285

SCHEMBL1625285

CCc1nc2cc(C#N)c(C)cc2n1-c1ccc(CCN)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.35
NOS1 P29475 5/20 0.35
TAAR1 Q96RJ0 2/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PDPK1 O15530 1/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARG P37231 1/20 0.33
CYP1A2 P05177 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1625754 0.89 PGK1 (0.38) NOS3NOS1TAAR1ESR1ESR2
SCHEMBL1627621 0.89 ESR1 (0.37) NOS3NOS1ESR1ESR2PDPK1
SCHEMBL1625597 0.89 PPARG (0.35) NOS3NOS1ESR1ESR2PDPK1
SCHEMBL1625357 0.87 TAAR1 (0.41) NOS3NOS1TAAR1ESR1ESR2
SCHEMBL1625584 0.83 CYP11B2 (0.40) TAAR1PDPK1AKT1PPARGCYP1A2
SCHEMBL1624769 0.83 ALOX5AP (0.39) TAAR1ESR1ESR2PDPK1AKT1
SCHEMBL1625447 0.82 SOS1 (0.40) NOS3NOS1TAAR1ESR1ESR2
SCHEMBL6051169 0.81 MEN1 (0.37) ESR1ESR2MEN1KMT2ATP53
SCHEMBL1625589 0.81 FAAH (0.37) ESR1ESR2MEN1KMT2ATP53
SCHEMBL1624284 0.80 AGTR1 (0.41) TAAR1ESR1ESR2MEN1KMT2A

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 13 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
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
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

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 NOS3 715/4885NOS1 848/4885TAAR1 2192/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 NOS3 2112/4885NOS1 3207/4885TAAR1 763/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 NOS3 2112/4885NOS1 3207/4885TAAR1 763/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 NOS3 668/4885NOS1 776/4885TAAR1 2216/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES NOS3 186/4885NOS1 442/4885TAAR1 2160/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 NOS3 2157/4885NOS1 2724/4885TAAR1 493/4885

“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.