SCHEMBL2634975

SCHEMBL2634975

NC(=O)Cc1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.56
CA2 P00918 1/20 0.47
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL31480957 0.88 CA2 (0.55) CA2SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL10131987 0.83 ESR2 (0.56) ESR2HRH3POLBCYP2C9PDE4A
SCHEMBL7941807 0.83 CA2 (0.50) CA2HRH3
SCHEMBL28031254 0.80 CA2 (0.47) CA2
SCHEMBL9273284 0.79 ESR2 (0.63) ESR2HRH3CYP2C9PDE4APDE4B
SCHEMBL14403055 0.78 ESR2 (0.78) ESR2HRH3POLBPDE4APDE4B
SCHEMBL247920 0.77 ESR2 (0.61) ESR2POLBCYP2C9PDE4APDE4B
SCHEMBL615218 0.77 ESR2 (0.49) ESR2
SCHEMBL9613533 0.75 ESR2 (0.46) ESR2CA2POLBPDE4APDE4B
SCHEMBL4359128 0.75 ESR2 (0.58) ESR2CA2HRH3PDE4APDE4B

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-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
CN-102933575-B Yclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV 2015-02-04 CN disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
EP-2580208-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-17 EP disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 US disclosed
WO-2011156554-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 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-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ESR2 582/4885CA2 2003/4885HRH3 321/4885

“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.