SCHEMBL5101814

SCHEMBL5101814

COc1ccc(S(=O)(=O)NC2CCC(N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 20/20 1.00
▸ ADRA1D P25100 20/20 1.00
▸ ADRA1A P35348 20/20 1.00
▸ ADRA1B P35368 20/20 1.00

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
SCHEMBL5101807 1.00 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999204 1.00 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5097578 0.91 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5111841 0.91 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5097581 0.91 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5110206 0.90 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999218 0.90 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5110202 0.90 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5111487 0.88 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5105322 0.88 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B

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 10 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 claimed
EP-1865956-A2 PIPERIDINYL SUBSTITUTED CYCLOHEXANE-1,4-DIAMINES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-19 — — EP claimed
WO-2006101859-A2 PIPERIDINYL SUBSTITUTED CYCLOHEXANE-1,4-DIAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 — — WO claimed
US-20060217419-A1 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 — — US claimed
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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