SCHEMBL9103958

SCHEMBL9103958

CC(C)[C@@H](CN1CCCC(F)(F)C1)N(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 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
SCHEMBL9103967 1.00 OPRD1 (0.37) OPRD1CYP3A4USP2HRH3CYP1A2
SCHEMBL9281845 0.93 HDAC4 (0.38) OPRD1CYP3A4CYP1A2CYP2D6
SCHEMBL9281842 0.93 HDAC4 (0.38) OPRD1CYP3A4CYP1A2CYP2D6
SCHEMBL9100128 0.86 POLB (0.44) HRH3
SCHEMBL9101647 0.86 ALDH1A1 (0.43) HRH3
SCHEMBL9100121 0.86 POLB (0.44) HRH3
SCHEMBL9101652 0.86 ALDH1A1 (0.43) HRH3
SCHEMBL9108282 0.86 POLB (0.44) HRH3
SCHEMBL9281370 0.86 ALDH1A1 (0.43) HRH3
SCHEMBL9106912 0.85 ALDH1A1 (0.37) CYP3A4USP2CYP1A2CYP2D6

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 OPRD1 564/4885CYP3A4 1843/4885USP2 3248/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 OPRD1 564/4885CYP3A4 1843/4885USP2 3248/4885

“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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