SCHEMBL4241263

SCHEMBL4241263

COc1ccc(-c2ccc(F)cc2C2(C3CCN(C(C)CCN)CC3)OC=CO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DPP4 P27487 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAOB P27338 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
APP P05067 1/20 0.31
CYP2C19 P33261 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4247925 0.88 CCR5 (0.36) DPP4CYP3A4HSD11B1APPUBE2M
SCHEMBL4244329 0.87 KMT2A (0.36) SYKMEN1KMT2AUBE2MDCUN1D1
SCHEMBL4242886 0.80 CCR5 (0.36) DPP4CYP3A4HSD11B1UBE2MDCUN1D1
SCHEMBL4245518 0.79 UBE2M (0.37) UBE2MDCUN1D1KCNH2
SCHEMBL4240422 0.78 CHRM2 (0.44) SYKMEN1KMT2AMAOB
SCHEMBL4241258 0.77 CCR5 (0.39) MEN1KMT2ADPP4HSD11B1MAOB
SCHEMBL4243373 0.76 SIGMAR1 (0.36) UBE2MDCUN1D1SIGMAR1ALDH1A1
SCHEMBL4244926 0.76 UBE2M (0.33) UBE2MDCUN1D1
SCHEMBL4239109 0.75 CCR5 (0.41) UBE2MDCUN1D1
SCHEMBL4236436 0.74

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 SYK 2980/4885MEN1 4855/4885KMT2A 4728/4885

“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.