SCHEMBL634043

SCHEMBL634043

Cc1ccn(C2CCC(=O)CC2)c(=O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.36
SRD5A1 P18405 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CA P42336 1/20 0.35
PDE10A Q9Y233 1/20 0.34
ALOX5 P09917 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.33
BACE1 P56817 1/20 0.32
NR1I2 O75469 1/20 0.32
KDM4B O94953 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
DOHH Q9BU89 1/20 0.32

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
SCHEMBL11885654 0.89 AOC3 (0.39) AOC3L3MBTL1PDE10AKDM4EALDH1A1
SCHEMBL19879922 0.86 AOC3 (0.38) AOC3L3MBTL1KDM4EALDH1A1KCNH2
SCHEMBL17563246 0.86 NR1I2 (0.40) AOC3L3MBTL1KDM4EALDH1A1NR1I2
SCHEMBL27389519 0.81 CHRM2 (0.41) AOC3PDE10AALDH1A1KCNH2CHRM1
SCHEMBL633454 0.79 ESR2 (0.41) AOC3KCNH2
SCHEMBL26031341 0.77 OPRM1 (0.35) L3MBTL1ALOX5KDM4EALDH1A1
SCHEMBL27389451 0.76 HTR6 (0.36) L3MBTL1ALDH1A1
SCHEMBL27389454 0.75 CHRM2 (0.40) KDM4EALDH1A1KCNH2CHRM1
SCHEMBL634300 0.74 KDM4E (0.37) SRD5A1L3MBTL1PIK3CAPDE10AALOX5
SCHEMBL633276 0.73 KDM5A (0.37) AOC3ALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
EP-2419418-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-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-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR2 AOC3 749/4885SRD5A1 611/4885L3MBTL1 1076/4885

“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.