SCHEMBL9101095

SCHEMBL9101095

CC(C)C(CN1C[C@@H](O)[C@H](O)C1)N(C)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PDK2 Q15119 3/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL9101085 1.00 NSD2 (0.39) NSD2ALDH1A1CYP2D6OPRK1SLC6A3
SCHEMBL9106664 0.84 P2RX7 (0.39) HRH3
SCHEMBL9106671 0.84 P2RX7 (0.39) HRH3
SCHEMBL9275274 0.84 P2RX7 (0.39) HRH3
SCHEMBL9275269 0.84 P2RX7 (0.39) HRH3
SCHEMBL9103676 0.84 CYP2D6 (0.41) NSD2ALDH1A1CYP2D6OPRK1SLC6A3
SCHEMBL9106072 0.84 CYP2D6 (0.41) NSD2ALDH1A1CYP2D6OPRK1SLC6A3
SCHEMBL9102904 0.77 OPRK1 (0.38) OPRK1
SCHEMBL9105941 0.77 OPRK1 (0.38) OPRK1
SCHEMBL9102888 0.77 OPRK1 (0.38) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 NSD2 2279/4885ALDH1A1 2203/4885CYP2D6 1483/4885

“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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