SCHEMBL9103676

SCHEMBL9103676

CC[C@H](C)[C@@H](CN1CC(O)C1)N(C)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.41
▸ OPRK1 P41145 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ NSD2 O96028 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PDK2 Q15119 4/20 0.36
▸ KDM2B Q8NHM5 2/20 0.35

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
SCHEMBL9106072 1.00 CYP2D6 (0.41) CYP2D6OPRK1HRH3SLC6A3NSD2
SCHEMBL9103361 0.85 HRH3 (0.40) OPRK1HRH3KDM2B
SCHEMBL9107105 0.85 HRH3 (0.40) OPRK1HRH3KDM2B
SCHEMBL9103752 0.85 CYP2D6 (0.41) CYP2D6OPRK1HRH3ALDH1A1
SCHEMBL9104451 0.85 OPRK1 (0.41) CYP2D6OPRK1HRH3
SCHEMBL9101085 0.84 NSD2 (0.39) CYP2D6OPRK1HRH3SLC6A3NSD2
SCHEMBL9101095 0.84 NSD2 (0.39) CYP2D6OPRK1HRH3SLC6A3NSD2
SCHEMBL9102739 0.83 CYP2D6 (0.36) CYP2D6OPRK1ALDH1A1
SCHEMBL9104216 0.83 SLC6A3 (0.46) CYP2D6OPRK1HRH3SLC6A3NSD2
SCHEMBL9104315 0.83 HRH3 (0.45) CYP2D6OPRK1HRH3SLC6A3ALDH1A1

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 8 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 claimed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO claimed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — US claimed
WO-2025082731-A1 INTRANASAL FORMULATIONS FOR TREATING OBSTRUCTIVE SLEEP APNEA MOSANNA THERAPEUTICS AG (CH) 2025-04-24 — — WO disclosed
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO 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 (2 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 CYP2D6 1483/4885OPRK1 398/4885HRH3 942/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 CYP2D6 1483/4885OPRK1 398/4885HRH3 942/4885

“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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