SCHEMBL629587

SCHEMBL629587

Cn1ccc(C2CCC3(CC2)OCCO3)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
HSD11B1 P28845 6/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
ATM Q13315 1/20 0.32
QDPR P09417 2/20 0.32
BRD4 O60885 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL628722 0.81 IKBKE (0.36) IKBKETBK1ALDH1A1LMNACDK2
SCHEMBL21475943 0.81 QDPR (0.41) PIK3C3QDPR
SCHEMBL630160 0.77 BRD4 (0.33) IKBKETBK1HSD11B1ALDH1A1LMNA
SCHEMBL629693 0.75 ESR2 (0.44) HSD11B1PIK3C3QDPR
SCHEMBL533805 0.74 PLG (0.47) QDPR
Hydrochloric Acid SCHEMBL2884886 0.73 HTR2C (0.49) QDPR
SCHEMBL629063 0.72 EBP (0.36) IKBKETBK1ALDH1A1LMNABRD4
SCHEMBL14403053 0.72 ESR2 (0.42) IKBKETBK1
SCHEMBL628791 0.71 DDB1 (0.47) ALDH1A1LMNABRD4
SCHEMBL15945569 0.70 HTR2C (0.54) IKBKETBK1ALDH1A1LMNAATM

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 IKBKE 1389/4885TBK1 3060/4885HSD11B1 482/4885

“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.