SCHEMBL627862

SCHEMBL627862

COC(=O)Nc1ncc(C2CCC(=O)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 12/20 0.46
CDK2 P24941 12/20 0.46
CDK5 Q00535 12/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
OGA O60502 1/20 0.46
HTT P42858 1/20 0.46
CDK5R1 Q15078 1/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.40

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
SCHEMBL628285 0.78 SMN1; SMN2 (0.44) CCNE1CDK2CDK5SMN1; SMN2OGA
SCHEMBL13148690 0.76 CCNE1 (0.35) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL765631 0.73 SMN1; SMN2 (0.43) CCNE1CDK2CDK5SMN1; SMN2OGA
SCHEMBL32672066 0.71 CCNE1 (0.61) CCNE1CDK2CDK5SMN1; SMN2OGA
SCHEMBL628009 0.71 ESR2 (0.41) CCNE1CDK2CDK5SMN1; SMN2HTT
SCHEMBL20883053 0.71 CCNE1 (0.60) CCNE1CDK2CDK5SMN1; SMN2OGA
SCHEMBL15943684 0.71 RAB9A (0.57) SMN1; SMN2
SCHEMBL5780845 0.69 CCNE1 (0.65) CCNE1CDK2CDK5SMN1; SMN2CDK5R1
SCHEMBL4479801 0.69 SMN1; SMN2 (0.56) CCNE1CDK2CDK5SMN1; SMN2MAPK1
SCHEMBL20522416 0.69 CCNE1 (0.48) CCNE1CDK2CDK5SMN1; SMN2CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
EP-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 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-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCNE1 885/4885CDK2 760/4885CDK5 1542/4885

“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.