SCHEMBL613794

SCHEMBL613794

O=C1CCC(c2ccc(N3CCCC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.55
▸ HRH3 Q9Y5N1 2/20 0.50
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42

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
SCHEMBL22816723 0.85 ALDH1A1 (0.51) ESR2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23064493 0.85 L3MBTL1 (0.52) HRH3TRIM24TRIM33ALDH1A1KDM4E
SCHEMBL7827690 0.84 THRB (0.48) ESR2HRH3ALDH1A1SMN1; SMN2LMNA
SCHEMBL30228474 0.83 ALDH1A1 (0.52) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22816238 0.82 ESR2 (0.47) ESR2HRH3PDE4APDE4BPDE4C
SCHEMBL28247589 0.81 ALDH1A1 (0.52) HRH3TRIM24TRIM33ALDH1A1KDM4E
SCHEMBL14403055 0.80 ESR2 (0.78) ESR2HRH3HSP90AA1TDP1PDE4A
SCHEMBL22817128 0.79 FAAH (0.44) ESR2HRH3ALDH1A1KDM4EPDE4A
SCHEMBL4461599 0.78 HRH3 (0.50) HRH3TRIM24TRIM33ALDH1A1KDM4E
SCHEMBL1673550 0.76 SIGMAR1 (0.52) ALDH1A1KDM4ESMN1; SMN2L3MBTL1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 — — EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 — — WO disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 — — WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 — — US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 — — US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-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 (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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ESR2 553/4885HRH3 299/4885TRIM24 1325/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ESR2 553/4885HRH3 299/4885TRIM24 1325/4885

“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.

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