SCHEMBL9104659

SCHEMBL9104659

CC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ LSS P48449 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL9104652 1.00 KDM2B (0.44) KDM2BSLC6A4SLC6A3LSSL3MBTL1
SCHEMBL9100669 0.87 HDAC8 (0.48) —
SCHEMBL9100679 0.87 HDAC8 (0.48) —
SCHEMBL9101667 0.85 HRH3 (0.52) KDM2BLSS
SCHEMBL9279761 0.83 MAPT (0.43) —
SCHEMBL9103851 0.82 CHRM2 (0.57) SLC6A4
SCHEMBL9103844 0.82 CHRM2 (0.57) SLC6A4
SCHEMBL9100128 0.81 POLB (0.44) L3MBTL1
SCHEMBL9100121 0.81 POLB (0.44) L3MBTL1
SCHEMBL9105054 0.81 KMT2A (0.43) —

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 3 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
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 KDM2B 646/4885SLC6A4 1410/4885SLC6A3 1421/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 KDM2B 646/4885SLC6A4 1410/4885SLC6A3 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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