SCHEMBL5110343

SCHEMBL5110343

CC(C)(C)OC(=O)NC1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.58
▸ ADRA1D P25100 9/20 0.58
▸ ADRA1A P35348 9/20 0.58
▸ ADRA1B P35368 9/20 0.58
▸ SSTR1 P30872 3/20 0.51
▸ SSTR4 P31391 3/20 0.51
▸ CHRM4 P08173 3/20 0.46
▸ CHRM1 P11229 3/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ CCRL2 O00421 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OGFRL1 Q5TC84 1/20 0.42
▸ CHRM2 P08172 1/20 0.42

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
SCHEMBL5110741 0.84 DRD2 (0.54) DRD2ADRA1DADRA1AADRA1BSSTR1
SCHEMBL5102068 0.83 DRD2 (0.54) DRD2ADRA1DADRA1AADRA1BOPRM1
SCHEMBL5111970 0.79 DRD2 (0.59) DRD2ADRA1DADRA1AADRA1BSSTR1
SCHEMBL5104743 0.79 SSTR1 (0.48) DRD2ADRA1DADRA1AADRA1BSSTR1
SCHEMBL13999223 0.78 KDM1A (0.58) DRD2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5097593 0.77 DRD2 (0.56) DRD2ADRA1DADRA1AADRA1BSSTR1
SCHEMBL5102082 0.77 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5110473 0.74 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5102071 0.74 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL31333337 0.74 OPRM1 (0.42) DRD2SLC2A1CCRL2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
US-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
US-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
EP-1865956-A2 PIPERIDINYL SUBSTITUTED CYCLOHEXANE-1,4-DIAMINES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-19 — — EP disclosed
WO-2006101859-A2 PIPERIDINYL SUBSTITUTED CYCLOHEXANE-1,4-DIAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 — — WO disclosed
US-20060217419-A1 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 — — 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-20060217419-A1 Piperidinyl substituted cyclohexane-1,4-diamines ADRA1D, ADRA1A, ADRB1 DRD2 98/4885ADRA1D 1/4885ADRA1A 2/4885

“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.

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