SCHEMBL4240422

SCHEMBL4240422

COc1ccc(-c2ccc(F)cc2C2(C3CCNCC3)OC=CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
EP300 Q09472 2/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.36
PLAT P00750 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
KDM1A O60341 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
GSK3B P49841 1/20 0.34
NMT1 P30419 1/20 0.34
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL4236456 0.84 GCGR (0.34) CHRM2CHRM1CHRM3KDM1AGCGR
SCHEMBL4245341 0.84 HTR1A (0.45) EP300MEN1KMT2APLATKDM1A
SCHEMBL4240759 0.83 HTR2C (0.38) CHRM2MAOBPLATKDM1AHTR1A
SCHEMBL4241263 0.78 SYK (0.35) MAOBMEN1KMT2ASYK
SCHEMBL4244427 0.74 HTR2C (0.38) CHRM2CHRM1CHRM3MAOBPLAT
SCHEMBL4240421 0.71 HTR7 (0.38) CHRM2CHRM1CHRM3MAOBMEN1
SCHEMBL4240748 0.68 HRH1 (0.35) CHRM2CHRM1CHRM3EP300KDM1A
SCHEMBL4142178 0.67 SLC6A2 (0.54) CHRM2CHRM1CHRM3SYK
SCHEMBL4142167 0.67 SLC6A2 (0.54) CHRM2CHRM1CHRM3SYK
SCHEMBL6068558 0.64 CYP2C19 (0.55) SYKMAPTTDP1GSK3BGCGR

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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CHRM2 1783/4885CHRM1 1750/4885CHRM3 443/4885

“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.