SCHEMBL9100051

SCHEMBL9100051

CC(C)C(CN1CCCC1)N(C)C(=O)c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.49
▸ CHRNG P07510 1/20 0.49
▸ CHRNB1 P11230 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ CHRND Q07001 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL9100040 1.00 CHRNA1 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL31478950 1.00 CHRNA1 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9102498 0.99 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9102500 0.99 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9104592 0.98 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9104582 0.98 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9102981 0.88 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL31478927 0.88 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9102990 0.88 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9279311 0.88 SLC6A2 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNA1 68/4885CHRNG 67/4885CHRNB1 69/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 CHRNA1 68/4885CHRNG 67/4885CHRNB1 69/4885

“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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