SCHEMBL13406325

SCHEMBL13406325

COC(=O)c1cn(C2CCNCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.45
KDM2B Q8NHM5 2/20 0.40
CPB1 P15086 1/20 0.40
KDM5A P29375 3/20 0.40
CDK5 Q00535 5/20 0.39
CDK5R1 Q15078 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.39
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
WDR5 P61964 1/20 0.34
MAPK1 P28482 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL28935063 0.90 KDM5A (0.46) KDM2BKDM5ACDK5CDK5R1MEN1
SCHEMBL13406413 0.82 KDM2B (0.49) PLATKDM2BCPB1KDM5ACDK5
SCHEMBL17396261 0.81 CPB1 (0.45) KDM2BCPB1KDM5AMEN1KMT2A
SCHEMBL8550973 0.78 GPR119 (0.51)
SCHEMBL3205266 0.76 KDM4A (0.49) KDM5ACDK5CDK5R1MEN1KMT2A
SCHEMBL19589410 0.75 KDM2B (0.49) KDM2BCPB1KDM5ACDK5CDK5R1
SCHEMBL21063662 0.75 GPR119 (0.43) KDM5A
SCHEMBL3201410 0.74 KDM4A (0.42) KDM5ACDK5CDK5R1MEN1KMT2A
SCHEMBL1268993 0.74 NOTUM (0.47) KDM5ACDK5CDK5R1CPB2
Hydrochloric Acid SCHEMBL8657208 0.73 SMYD3 (0.41) CPB1

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-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 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-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 PLAT 1057/4885KDM2B 2904/4885CPB1 1785/4885

“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.