SCHEMBL4240396

SCHEMBL4240396

CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NR1D1 P20393 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
STS P08842 1/20 0.47
PTPRB P23467 1/20 0.46
PTPN11 Q06124 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
HTT P42858 1/20 0.45
CCR5 P51681 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4244706 0.90 GPR119 (0.50) ALDH1A1LMNAMAPTJAK2JAK1
SCHEMBL4240390 0.87 CCR5 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4309350 0.85 MEN1 (0.67) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL4239118 0.85 GPR119 (0.56) ALDH1A1JAK2JAK1MEN1KMT2A
SCHEMBL4306735 0.82 KMT2A (0.57) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL27178727 0.82 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4265056 0.82 ALDH1A1 (0.55) ALDH1A1LMNAMAPTJAK2JAK1
SCHEMBL4306235 0.81 MEN1 (0.53) MAPTJAK2JAK1MEN1KMT2A
SCHEMBL4240592 0.80 JAK2 (0.52) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL3841552 0.80 CCR5 (0.69) JAK2JAK1CCR5KCNH2

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 ALDH1A1 3358/4885LMNA 4640/4885MAPT 3843/4885

“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.