SCHEMBL3782779

SCHEMBL3782779

CCc1[nH]c2c(F)ccc(O[C@@H](C)C(=O)OC)c2c(=O)c1Cc1ccc(C(=O)NC2CCC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
F10 P00742 4/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TAS1R2 Q8TE23 1/20 0.33
POLB P06746 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GRM5 P41594 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL3782782 1.00 ACHE (0.38) ACHEF10TAS1R3TAS1R1TLR8
SCHEMBL3781667 0.88 F10 (0.39) ACHEF10TAS1R3TAS1R1TLR8
SCHEMBL14142133 0.87 F10 (0.38) ACHEF10TAS1R3TAS1R1TLR8
SCHEMBL3778272 0.85 HPGD (0.37) F10
SCHEMBL3778270 0.85 HPGD (0.37) F10
SCHEMBL3777368 0.85 SMN1; SMN2 (0.39)
SCHEMBL3777364 0.85 SMN1; SMN2 (0.39)
SCHEMBL3782655 0.80 PTGDR2 (0.41) ACHEF10TAS1R3TAS1R1TLR8
SCHEMBL3782661 0.80 PTGDR2 (0.41) ACHEF10TAS1R3TAS1R1TLR8
SCHEMBL534117 0.79 P2RX3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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 (1 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 ACHE 3880/4885F10 1999/4885TAS1R3 1184/4885

“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.