SCHEMBL628791

SCHEMBL628791

Cn1cccc(C2CCC3(CC2)OCCO3)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 6/20 0.34
GAA P10253 6/20 0.34
HSD17B10 Q99714 5/20 0.34
HPGD P15428 5/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
BRD4 O60885 1/20 0.33
PDE10A Q9Y233 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
CREBBP Q92793 1/20 0.32
SMURF1 Q9HCE7 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL19539210 0.81 DDB1 (0.55) DDB1CRBNALDH1A1KDM4EGAA
SCHEMBL629148 0.75 DDB1 (0.54) DDB1CRBNALDH1A1KDM4EGAA
SCHEMBL27266235 0.74 PDE10A (0.39) ALDH1A1GAAL3MBTL1PDE10APOLB
SCHEMBL9998691 0.74 PDK2 (0.34) ALDH1A1GAAL3MBTL1PDE10APOLB
SCHEMBL629587 0.71 IKBKE (0.38) ALDH1A1LMNABRD4
SCHEMBL630160 0.71 BRD4 (0.33) ALDH1A1GAAHPGDLMNAL3MBTL1
SCHEMBL2422999 0.70 DDB1 (0.48) DDB1CRBNALDH1A1KDM4EGAA
SCHEMBL628722 0.70 IKBKE (0.36) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL24460957 0.69 MMP2 (0.38) ALDH1A1HSD17B10MAPTL3MBTL1PDE10A
SCHEMBL31067203 0.69 KDM1A (0.38) KDM4EGAAPDE10APOLB

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-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
EP-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-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-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 DDB1 2251/4885CRBN 1478/4885ALDH1A1 475/4885

“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.