SCHEMBL4240905

SCHEMBL4240905

CC(C)(C)OC(=O)N1CCC(N(Cc2cc(Cl)ccc2F)c2ccc(C3(C)OCCO3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PGR P06401 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
GPR119 Q8TDV5 6/20 0.40
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
DPP4 P27487 1/20 0.39
NR1D1 P20393 1/20 0.39
USP30 Q70CQ3 1/20 0.38
MAPK8 P45983 1/20 0.38
KCNH2 Q12809 1/20 0.38
STS P08842 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4242951 0.83 MEN1 (0.47) MEN1KMT2APGRCYP2D6CYP2C9
SCHEMBL4242919 0.77 MEN1 (0.51) MEN1KMT2APGRCYP2D6CYP2C9
SCHEMBL4306298 0.75 MEN1 (0.57) MEN1KMT2AGPR119NR1D1KCNH2
SCHEMBL4314810 0.75 MEN1 (0.57) MEN1KMT2AGPR119NR1D1KCNH2
SCHEMBL4311539 0.75 MEN1 (0.56) MEN1KMT2APGRCYP2D6CYP2C9
SCHEMBL3379626 0.73 MEN1 (0.64) MEN1KMT2AGPR119NR1D1STS
SCHEMBL4304098 0.73 MEN1 (0.54) MEN1KMT2APGRCYP2D6CYP2C9
SCHEMBL14162547 0.73 PGR (0.57) MEN1KMT2APGRCYP2D6CYP2C9
SCHEMBL4306686 0.72 MEN1 (0.56) MEN1KMT2AGPR119DPP4
SCHEMBL4307698 0.72 KMT2A (0.58) MEN1KMT2AGPR119NR1D1STS

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 MEN1 4855/4885KMT2A 4728/4885PGR 976/4885

“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.