SCHEMBL3947539

SCHEMBL3947539

[CH2]Cc1ccc(-n2c(C(C)C)nc3cc(C(=O)N(C)C)c(Cl)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CRBN Q96SW2 3/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.32
CYP1A2 P05177 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL1626201 0.89 TRPV4 (0.37) TRPV4ESR1ESR2CRBNCCNT1
SCHEMBL1626701 0.83 TRPV4 (0.34) TRPV4ESR1ESR2CRBNCCNT1
SCHEMBL1625959 0.79 CNR2 (0.35) TRPV4
SCHEMBL3949489 0.72 KMT2A (0.38) ESR1ESR2CRBNALDH1A1PPARG
SCHEMBL3946397 0.70 CRBN (0.42) ESR1ESR2CRBNSMN1; SMN2PPARG
SCHEMBL3950716 0.66 DCTPP1 (0.40) ESR1ESR2CCNT1CDK9CYP1A2
SCHEMBL6893506 0.62 CXCR3 (0.36) TRPV1
SCHEMBL3956735 0.62 ESR1 (0.36) ESR1ESR2SMN1; SMN2CYP1A2PDE10A
SCHEMBL3953103 0.61 CA1 (0.42) ESR1ESR2
SCHEMBL27582861 0.61 ESR1 (0.35) ESR1ESR2CRBNCYP1A2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100579518-C Use of EP4 receptor ligands for the manufacture of a medicament for the treatment of IL-6 related disorders PFIZER 2010-01-13 CN 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
CN-101023946-A Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER (US) 2007-08-29 CN disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 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
CN-1658847-A Use of EP4 receptor ligands for the treatment of IL-6 related disorders PFIZER (US) 2005-08-24 CN 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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 (3 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 TRPV4 73/4885ESR1 4356/4885ESR2 2513/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 TRPV4 72/4885ESR1 4364/4885ESR2 2560/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES TRPV4 30/4885ESR1 2442/4885ESR2 1340/4885

“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.