SCHEMBL9105109

SCHEMBL9105109

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CHRM2 P08172 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9102479 1.00 HRH3 (0.41) HRH3CHRM2CHRM3KDM4EALDH1A1
SCHEMBL9102579 0.91 HRH3 (0.50) HRH3CHRM2CHRM3
SCHEMBL9102562 0.91 HRH3 (0.50) HRH3CHRM2CHRM3
SCHEMBL9102747 0.89 KDM4E (0.36) HRH3KDM4EALDH1A1ALOX12NPSR1
SCHEMBL9102756 0.89 KDM4E (0.36) HRH3KDM4EALDH1A1ALOX12NPSR1
SCHEMBL9105365 0.88 HRH3 (0.41) HRH3CHRM2CHRM3
SCHEMBL9105358 0.88 HRH3 (0.41) HRH3CHRM2CHRM3
SCHEMBL9104412 0.87 HRH3 (0.43) HRH3CHRM2CHRM3KDM4EALDH1A1
SCHEMBL9104408 0.87 HRH3 (0.43) HRH3CHRM2CHRM3KDM4EALDH1A1
SCHEMBL9280860 0.85 HRH3 (0.41) HRH3CHRM2CHRM3KDM4EALDH1A1

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 HRH3 942/4885CHRM2 55/4885CHRM3 63/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885CHRM2 55/4885CHRM3 63/4885

“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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