SCHEMBL634137

SCHEMBL634137

Cc1ccc(=O)n(C2CCC3(CC2)OCCO3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 5/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.34
LMNA P02545 4/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 4/20 0.34
GAA P10253 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
PARP1 P09874 1/20 0.33
HCRTR1 O43613 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL634040 0.82 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4ELMNAHPGD
SCHEMBL632613 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ENPSR1LMNA
SCHEMBL6920858 0.81 KDM4E (0.41) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL13110205 0.79 KCNH2 (0.36) ALDH1A1L3MBTL1KDM4ELMNAHPGD
SCHEMBL634035 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2L3MBTL1KDM4ELMNA
SCHEMBL22246177 0.77 MCOLN3 (0.43) ALDH1A1L3MBTL1KDM4ENPSR1LMNA
SCHEMBL10178071 0.77 BMPR1B (0.40) ALDH1A1L3MBTL1KDM4ENPSR1LMNA
SCHEMBL633430 0.76 GAA (0.43) ALDH1A1SMN1; SMN2L3MBTL1KDM4ETSHR
SCHEMBL634300 0.74 KDM4E (0.37) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL633036 0.73 GAA (0.37) ALDH1A1L3MBTL1KDM4ELMNAHPGD

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-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
EP-2419418-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-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-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR2 ALDH1A1 576/4885SMN1; SMN2 3061/4885L3MBTL1 1076/4885

“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.