SCHEMBL9998713

SCHEMBL9998713

O=C1CCC(N2CCSCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
GRIN2B Q13224 2/20 0.31
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
ACHE P22303 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
SCHEMBL7320872 0.79 L3MBTL3 (0.45) L3MBTL1HRH3
SCHEMBL20160890 0.79 L3MBTL3 (0.42) L3MBTL1TRIM24TRIM33HRH3
SCHEMBL14919428 0.78
SCHEMBL10538464 0.77 L3MBTL3 (0.44) ALDH1A1L3MBTL1TRIM24TRIM33HRH3
SCHEMBL7314532 0.77 L3MBTL3 (0.44) ALDH1A1L3MBTL1TRIM24TRIM33HRH3
SCHEMBL1799606 0.74 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1GRIN2BHRH3OPRL1
SCHEMBL29132584 0.74 HPGD (0.44) ALDH1A1L3MBTL1GRIN2BHRH3OPRM1
SCHEMBL864488 0.74 L3MBTL3 (0.40) ALDH1A1L3MBTL1OPRM1OPRL1
SCHEMBL1799353 0.74 L3MBTL3 (0.39) ALDH1A1LMNAL3MBTL1GRIN2BHRH3
SCHEMBL121604 0.74 L3MBTL3 (0.34) ALDH1A1L3MBTL1TRIM24TRIM33HRH3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097375-B Cyclohexyl-azetidine the antagonist of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2015-08-12 CN disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
CN-103097375-A Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV 2013-05-08 CN disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ALDH1A1 530/4885LMNA 4185/4885L3MBTL1 2052/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ALDH1A1 530/4885LMNA 4185/4885L3MBTL1 2052/4885

“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.