SCHEMBL615335

SCHEMBL615335

CC(C)(C)[Si](C)(C)Oc1ccc(C2(O)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.38
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
KMT2A Q03164 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL10132095 0.84 OPRM1 (0.37) PREPCA12CA1CA9KMT2A
SCHEMBL8705852 0.82 HRH3 (0.43) PREPCA12CA1CA9HRH3
SCHEMBL613806 0.79 POLB (0.51) POLBKMT2AOPRM1OPRD1OPRK1
SCHEMBL615122 0.79 PREP (0.44) PREPCA12CA1CA9POLB
SCHEMBL14403245 0.78 DRD2 (0.39) POLBHRH3OPRM1OPRK1OPRL1
SCHEMBL7659846 0.76 MAPT (0.43) OPRM1OPRK1OPRL1SLC6A4SLC6A3
SCHEMBL8466271 0.75 SLC6A4 (0.45) HRH3KMT2AMEN1SLC6A4SLC6A3
SCHEMBL613489 0.74 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL2385636 0.74 OPRM1 (0.43) CA12CA1CA9OPRM1OPRD1
SCHEMBL12208869 0.72 POLB (0.36) POLBHRH3KMT2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-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 (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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PREP 660/4885CA12 4452/4885CA1 3921/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PREP 660/4885CA12 4452/4885CA1 3921/4885

“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.