SCHEMBL5110677

SCHEMBL5110677

O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 17/20 1.00
▸ ADRA1D P25100 17/20 1.00
▸ ADRA1A P35348 17/20 1.00
▸ ADRA1B P35368 17/20 1.00
▸ PKM P14618 2/20 0.48
▸ PKLR P30613 2/20 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
SCHEMBL13999208 1.00 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1BPKM
SCHEMBL5112041 0.85 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101822 0.85 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101829 0.85 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999215 0.82 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999213 0.82 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101975 0.81 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101979 0.81 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999214 0.81 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL13999212 0.80 DRD2 (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 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 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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