SCHEMBL613796

SCHEMBL613796

OC1(c2ccc(N3CCCC3)cc2)CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
LGMN Q99538 1/20 0.42
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
ALDH1A1 P00352 7/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CCR6 P51684 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL14403245 0.83 DRD2 (0.39) HRH3KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL25549254 0.80 HRH3 (0.36) HRH3LGMNL3MBTL1L3MBTL3
SCHEMBL747084 0.76 SMO (0.45) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL742824 0.75 DRD2 (0.37) HRH3ALDH1A1
SCHEMBL2385636 0.75 OPRM1 (0.43) LMNACYP1A2CYP3A4SMN1; SMN2
SCHEMBL612754 0.75 OPRM1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL613489 0.75 OPRM1 (0.50) L3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL613410 0.75 DRD2 (0.55) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL612712 0.74 OPRL1 (0.52) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL25188429 0.73 PIK3C3 (0.39) HRH3

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 HRH3 299/4885LGMN 4505/4885KDM4E 1485/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 HRH3 299/4885LGMN 4505/4885KDM4E 1485/4885

“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.