SCHEMBL9104451

SCHEMBL9104451

CC[C@H](C)[C@@H](CN1CC(O)C1)N(C)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 4/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL9103752 0.88 CYP2D6 (0.41) OPRK1OPRM1OPRD1HRH3CYP2D6
SCHEMBL9107105 0.88 HRH3 (0.40) OPRK1OPRM1OPRD1HRH3
SCHEMBL9103361 0.88 HRH3 (0.40) OPRK1OPRM1OPRD1HRH3
SCHEMBL9104315 0.86 HRH3 (0.45) OPRK1OPRM1OPRD1HRH3CYP2D6
SCHEMBL9106072 0.85 CYP2D6 (0.41) OPRK1HRH3CYP2D6
SCHEMBL9103676 0.85 CYP2D6 (0.41) OPRK1HRH3CYP2D6
SCHEMBL9886298 0.82 HRH3 (0.36) OPRK1HRH3
SCHEMBL10181844 0.82 HRH3 (0.36) OPRK1HRH3
SCHEMBL9104146 0.82 HRH3 (0.36) OPRK1HRH3
SCHEMBL9101189 0.82 HRH3 (0.36) OPRK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRK1 398/4885OPRM1 973/4885OPRD1 564/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 OPRK1 398/4885OPRM1 973/4885OPRD1 564/4885

“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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