SCHEMBL9998303

SCHEMBL9998303

O=C1CCC(CN2CCCCC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.41
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2C19 P33261 1/20 0.40
LTA4H P09960 2/20 0.39
PIK3CD O00329 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 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
SCHEMBL14835319 0.90 L3MBTL1 (0.48) L3MBTL1KDM4EACHECYP1A2CHRM2
SCHEMBL14835760 0.89 L3MBTL1 (0.44) L3MBTL1KDM4EACHECYP1A2CHRM2
SCHEMBL15319538 0.87 CHRM5 (0.47) L3MBTL1KDM4EACHECYP1A2CHRM2
SCHEMBL7384750 0.84 KDM4E (0.52) L3MBTL1KDM4ECYP1A2CHRM2CHRM4
SCHEMBL26131264 0.82 DRD2 (0.41) L3MBTL1KDM4EACHECYP1A2CHRM2
SCHEMBL4513010 0.81 KDM4E (0.47) L3MBTL1KDM4ECYP1A2CHRM2CHRM4
Hydrochloric Acid SCHEMBL26130653 0.81 DRD2 (0.40) L3MBTL1KDM4EACHELTA4H
SCHEMBL26128730 0.81 L3MBTL1 (0.41) L3MBTL1KDM4EACHEHRH3KMT2A
SCHEMBL4740483 0.80 KDM4E (0.47) L3MBTL1KDM4ECYP1A2CHRM2CHRM4
SCHEMBL255185 0.76 KDM4E (0.44) L3MBTL1KDM4ELTA4HPIK3CDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 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 (2 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 L3MBTL1 2052/4885KDM4E 822/4885ACHE 2226/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 L3MBTL1 2052/4885KDM4E 822/4885ACHE 2226/4885

“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.