SCHEMBL630160

SCHEMBL630160

Cn1ccc(=O)cc1C1CCC2(CC1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 5/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 2/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
CREBBP Q92793 1/20 0.30
POLB P06746 2/20 0.30
SMURF1 Q9HCE7 1/20 0.30

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
SCHEMBL629587 0.77 IKBKE (0.38) BRD4IKBKETBK1ATMNPC1
SCHEMBL628791 0.71 DDB1 (0.47) BRD4ALDH1A1L3MBTL1LMNAGAA
SCHEMBL628722 0.70 IKBKE (0.36) BRD4IKBKETBK1ALDH1A1LMNA
SCHEMBL633539 0.69 PARP1 (0.36) ATMNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL14403053 0.65 ESR2 (0.42) IKBKETBK1PKMPOLB
SCHEMBL9998691 0.65 PDK2 (0.34) ALDH1A1L3MBTL1GAAPOLB
SCHEMBL25271935 0.64 POLB (0.37) ALDH1A1HPGDTSHRPOLB
SCHEMBL634035 0.63 ALDH1A1 (0.36) NPC1RAB9AALDH1A1L3MBTL1LMNA
SCHEMBL26605702 0.63 PDE10A (0.31) ALDH1A1
SCHEMBL26605575 0.62 PGR (0.30)

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 5 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
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
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 BRD4 278/4885IKBKE 1389/4885TBK1 3060/4885

“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.