SCHEMBL633650

SCHEMBL633650

O=c1cc(O)ccn1C1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
GAA P10253 4/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PARP1 P09874 1/20 0.35
DHODH Q02127 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HSD11B1 P28845 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
ATM Q13315 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL634035 0.83 ALDH1A1 (0.36) HPGDGAAALDH1A1LMNAL3MBTL1
SCHEMBL633430 0.78 GAA (0.43) HPGDGAAALDH1A1LMNAL3MBTL1
SCHEMBL4056563 0.77 POLB (0.43) GAAALDH1A1KDM4EHSD17B10MAOA
SCHEMBL633454 0.75 ESR2 (0.41) HSD11B1OPRM1MAOAMAOB
SCHEMBL31548212 0.72 HPGD (0.44) HPGDGAAALDH1A1L3MBTL1PARP1
SCHEMBL634137 0.70 ALDH1A1 (0.37) HPGDGAAALDH1A1LMNAL3MBTL1
SCHEMBL632613 0.70 ALDH1A1 (0.43) GAAALDH1A1LMNAL3MBTL1PARP1
SCHEMBL634040 0.70 ALDH1A1 (0.34) HPGDGAAALDH1A1LMNAL3MBTL1
SCHEMBL633036 0.70 GAA (0.37) HPGDGAAALDH1A1LMNAL3MBTL1
SCHEMBL29995498 0.69 KRAS (0.31) MAOAMAOB

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 HPGD 782/4885GAA 3373/4885ALDH1A1 576/4885

“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.