SCHEMBL10132095

SCHEMBL10132095

CC(C)(C)[Si](C)(C)Oc1cccc(C2(O)CCC3(CC2)OCCO3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL615335 0.84 PREP (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL615305 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL613750 0.81 CA12 (0.39) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL16654361 0.76 CA12 (0.39) OPRD1HSP90AA1HSP90AB1CA12CA1
SCHEMBL13130325 0.74 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL613906 0.74 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL614575 0.72 HAO1 (0.33) OPRM1OPRK1OPRL1HDAC3HDAC1
SCHEMBL731991 0.71 OPRL1 (0.49) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL7706827 0.71 CA1 (0.50) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2CA12
SCHEMBL613800 0.70 SMN1; SMN2 (0.35) OPRM1OPRD1OPRK1OPRL1SMN1; SMN2

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 5 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
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 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 OPRM1 370/4885OPRD1 126/4885OPRK1 134/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 OPRM1 370/4885OPRD1 126/4885OPRK1 134/4885

“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.