SCHEMBL633036

SCHEMBL633036

O=c1ccncn1C1CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
HPGD P15428 3/20 0.37
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PARP1 P09874 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ATM Q13315 1/20 0.30
DHODH Q02127 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
SCHEMBL631951 0.76 MAPK14 (0.35) IDO1
SCHEMBL633430 0.76 GAA (0.43) GAAHPGDALDH1A1LMNAPARP1
SCHEMBL634040 0.73 ALDH1A1 (0.34) GAAHPGDALDH1A1LMNAPARP1
SCHEMBL632613 0.73 ALDH1A1 (0.43) GAAALDH1A1LMNAPARP1L3MBTL1
SCHEMBL634137 0.73 ALDH1A1 (0.37) GAAHPGDALDH1A1LMNAPARP1
SCHEMBL22977761 0.71 CDA (0.39) GAAHPGDALDH1A1LMNAPARP1
SCHEMBL13110205 0.70 KCNH2 (0.36) GAAHPGDALDH1A1LMNAPARP1
SCHEMBL634473 0.70 CYP19A1 (0.31) IDO1
SCHEMBL634035 0.70 ALDH1A1 (0.36) GAAHPGDALDH1A1LMNAPARP1
SCHEMBL633650 0.70 HPGD (0.36) GAAHPGDALDH1A1LMNAPARP1

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 GAA 3373/4885HPGD 782/4885IDO1 116/4885

“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.