SCHEMBL3950318

SCHEMBL3950318

[CH2]Cc1ccc(-n2c(CCCc3cccnc3)nc3cc(C(F)(F)F)c(Cl)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.42
TRPV1 Q8NER1 1/20 0.34
NAMPT P43490 2/20 0.34
AR P10275 1/20 0.34
OPRK1 P41145 2/20 0.34
P2RX7 Q99572 2/20 0.33
HMOX1 P09601 1/20 0.33
HMOX2 P30519 1/20 0.33
CRHR1 P34998 1/20 0.33
PLA2G7 Q13093 1/20 0.32
TSHR P16473 1/20 0.32
NOTUM Q6P988 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR2 P41597 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.31
AOC3 Q16853 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
SCHEMBL1626074 0.90 AOC2 (0.43) AOC2TRPV1NAMPTAROPRK1
SCHEMBL3956580 0.89 AOC2 (0.35) AOC2TRPV1NOTUM
SCHEMBL3956236 0.84 LMNA (0.37) AROPRK1CRHR1NOTUM
SCHEMBL3946684 0.84 RXFP1 (0.35) AOC2TRPV1NAMPTHMOX1HMOX2
SCHEMBL1626060 0.79 AOC2 (0.37) AOC2TRPV1NOTUM
SCHEMBL3949979 0.79 CNR2 (0.36) NOTUMMEN1KMT2A
SCHEMBL1623978 0.78 TBXAS1 (0.35) NAMPTCRHR1
SCHEMBL7017064 0.77 AOC2 (0.41) AOC2TRPV1NAMPTARNOTUM
SCHEMBL3948843 0.76 GRM4 (0.41) HMOX1HMOX2MEN1KMT2A
SCHEMBL3947014 0.76 HDAC1 (0.34) MEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US 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

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-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 AOC2 3423/4885TRPV1 1401/4885NAMPT 1581/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 AOC2 2737/4885TRPV1 12/4885NAMPT 3799/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES AOC2 2397/4885TRPV1 14/4885NAMPT 2920/4885

“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.