SCHEMBL612703

SCHEMBL612703

C1=C(c2ccc(N3CCCC3)cc2)CCC2(C1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.37
TBK1 Q9UHD2 2/20 0.36
IKBKE Q14164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.36
ALDH1A1 P00352 8/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CCR6 P51684 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 4/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL22816721 0.87 ALDH1A1 (0.41) LGMNTBK1IKBKESUV39H2ALDH1A1
SCHEMBL22816237 0.87 LGMN (0.38) LGMNTBK1IKBKEL3MBTL1L3MBTL3
SCHEMBL23484653 0.84 USP2 (0.38) TBK1IKBKESUV39H2ALDH1A1USP2
SCHEMBL14403246 0.84 TBK1 (0.43) TBK1IKBKESUV39H2
SCHEMBL23484661 0.79 SUV39H2 (0.40) TBK1IKBKESUV39H2CYP1A2CYP2C9
SCHEMBL2384758 0.76 HTR2C (0.40) TBK1IKBKESUV39H2HPGDSMN1; SMN2
SCHEMBL13832397 0.76 SUV39H2 (0.41) TBK1IKBKESUV39H2ALDH1A1LMNA
SCHEMBL14117573 0.76 TBK1 (0.39) TBK1IKBKEL3MBTL1SUV39H2ALDH1A1
SCHEMBL745424 0.76 TBK1 (0.39) TBK1IKBKESUV39H2LMNAMEN1
SCHEMBL12208682 0.76 IKBKE (0.41) TBK1IKBKEL3MBTL1SUV39H2ALDH1A1

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-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
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
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 LGMN 4505/4885TBK1 3247/4885IKBKE 1146/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 LGMN 4505/4885TBK1 3247/4885IKBKE 1146/4885

“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.