SCHEMBL2474572

SCHEMBL2474572

CCOC(=O)CCCN1[C@@H](c2ncccc2C)CCC[C@H]1c1ncccc1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
TNF P01375 6/20 0.39
TBXAS1 P24557 1/20 0.38
CXCR4 P61073 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL2475170 0.97 CNR2 (0.42) CNR2CYP2C19GAATNFTBXAS1
SCHEMBL2472133 0.96 CNR2 (0.41) CNR2CYP2C19TNFTBXAS1CXCR4
SCHEMBL2479313 0.86 CXCR4 (0.40) CNR2CXCR4
SCHEMBL2476483 0.86 CXCR4 (0.40) CXCR4
SCHEMBL2476650 0.83 HDAC6 (0.41) CXCR4
SCHEMBL15387150 0.83 CNR2 (0.41) CNR2TBXAS1CXCR4
SCHEMBL2475030 0.82 HCRTR1 (0.39) CXCR4MAPT
SCHEMBL30586952 0.81 CXCR4 (0.43) CNR2CXCR4
SCHEMBL26523222 0.81 CXCR4 (0.43) CNR2CXCR4
SCHEMBL26107971 0.81 CXCR4 (0.43) CNR2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 US 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-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 CNR2 146/4885CYP2C19 2200/4885GAA 4780/4885

“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.