SCHEMBL5101822

SCHEMBL5101822

COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 1.00
▸ ADRA1B P35368 19/20 1.00
▸ DRD2 P14416 18/20 1.00
▸ ADRA1D P25100 18/20 1.00
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48

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
SCHEMBL5112041 1.00 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1DPDE4A
SCHEMBL5101829 1.00 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1DPDE4A
SCHEMBL5098121 0.89 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5098186 0.89 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5098114 0.89 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5104588 0.88 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL13999216 0.88 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5104591 0.88 ADRA1A (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5110473 0.87 DRD2 (1.00) ADRA1AADRA1BDRD2ADRA1D
SCHEMBL5102081 0.87 DRD2 (1.00) ADRA1AADRA1BDRD2ADRA1D

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 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
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 ADRA1A 2/4885ADRA1B 4/4885DRD2 98/4885

“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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