SCHEMBL629194

SCHEMBL629194

O=C1CCC(c2ccc(=O)n(CCO)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.47
SLC18A3 Q16572 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.35
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
SYK P43405 1/20 0.32
SRD5A1 P18405 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL629163 0.81 ESR2 (0.46) ESR2HRH3PDE4APDE4BPDE4C
SCHEMBL627753 0.79 ESR2 (0.44) ESR2HRH3PDE4APDE4BPDE4C
SCHEMBL628249 0.78 ESR2 (0.42) ESR2HRH3TDP1PDE4APDE4B
SCHEMBL628323 0.76 ESR2 (0.50) ESR2HRH3PDE4APDE4BPDE4C
SCHEMBL21486469 0.70 DRD2 (0.41) HRH3ALDH1A1DRD2
SCHEMBL14403055 0.70 ESR2 (0.78) ESR2HRH3TDP1PDE4APDE4B
SCHEMBL628751 0.69 ESR2 (0.46) ESR2HRH3PDE4APDE4BPDE4C
SCHEMBL9273284 0.68 ESR2 (0.63) ESR2HRH3PDE4APDE4BPDE4C
SCHEMBL7474420 0.66 MAPT (0.47) ALDH1A1DRD2SMN1; SMN2
SCHEMBL22114489 0.66 MAP2K1 (0.43) ALDH1A1TDP1

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 12 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
CN-102459225-B 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2014-08-20 CN disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
CN-102459225-A 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2012-05-16 CN 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
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US 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 ESR2 567/4885SLC18A3 3129/4885HRH3 288/4885

“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.