SCHEMBL9103610

SCHEMBL9103610

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ OPRK1 P41145 4/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CYP2D6 P10635 2/20 0.34
▸ CCR5 P51681 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9100688 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HRH3OPRK1
SCHEMBL9100829 0.91 HRH3 (0.39) SLC6A4SLC6A2SLC6A3HRH3OPRK1
SCHEMBL9100836 0.91 HRH3 (0.39) SLC6A4SLC6A2SLC6A3HRH3OPRK1
SCHEMBL9100799 0.88 KDM2B (0.39) SLC6A4SLC6A3HRH3OPRK1CHRM2
SCHEMBL9100505 0.88 KDM2B (0.39) SLC6A4SLC6A3HRH3OPRK1CHRM2
SCHEMBL9102141 0.88 CCR5 (0.43) SLC6A2SLC6A3HRH3OPRK1OPRD1
SCHEMBL9105225 0.88 CCR5 (0.43) SLC6A2SLC6A3HRH3OPRK1OPRD1
SCHEMBL9100511 0.88 KDM2B (0.39) SLC6A4SLC6A3HRH3OPRK1CHRM2
Hydrochloric Acid SCHEMBL9102959 0.87 KDM2B (0.39) HRH3OPRK1CHRM2CHRM3OPRD1
Hydrochloric Acid SCHEMBL9102951 0.87 KDM2B (0.39) HRH3OPRK1CHRM2CHRM3OPRD1

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 SLC6A4 1410/4885SLC6A2 373/4885SLC6A3 1421/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 SLC6A4 1410/4885SLC6A2 373/4885SLC6A3 1421/4885

“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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