SCHEMBL632845

SCHEMBL632845

COc1cccnc1OC1CCC2(CC1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PDE10A Q9Y233 3/20 0.37
AVPR1A P37288 2/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
C5AR1 P21730 1/20 0.36
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35

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
SCHEMBL632327 0.84 PDE10A (0.44) KDM4EMAPTPDE10AC5AR1
SCHEMBL632170 0.75 PDE10A (0.36) PDE10AAVPR1AC5AR1CACNB4CACNA1A
SCHEMBL631772 0.75 PDE4D (0.43) HTR1ASLC6A2SLC6A4SLC6A3CHRNB4
SCHEMBL632821 0.73 AVPR1A (0.52) PDE10AAVPR1ACACNB4CACNA1ACACNA1G
SCHEMBL29576382 0.73 PDGFRB (0.45)
SCHEMBL21176858 0.73 PDGFRB (0.45)
SCHEMBL19703314 0.71 HTR1A (0.53) HTR1ASLC6A2SLC6A4SLC6A3CHRNB4
SCHEMBL785820 0.71 CACNB4 (0.35) MAPTPDE10AAVPR1ACACNB4CACNA1A
SCHEMBL634218 0.70 OGA (0.42) PDE10AAVPR1ACACNB4CACNA1ACACNA1G
SCHEMBL8990472 0.69 HTR2C (0.55)

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
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
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 HTR1A 248/4885SLC6A2 3905/4885SLC6A4 4292/4885

“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.