SCHEMBL9104897

SCHEMBL9104897

Cc1cc(C(=O)N(C)C(CN2C[C@H](O)[C@@H](O)C2)C(C)C)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR7 P34969 2/20 0.34
▸ ADRA1A P35348 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
SCHEMBL9104884 1.00 MAOA (0.36) MAOAMAOBMAPK14MEN1KMT2A
Azd-2927 SCHEMBL9105417 0.93 MAOA (0.36) MAOAMAOBMAPK14MEN1KMT2A
Azd-2927 SCHEMBL9106608 0.93 MAOA (0.36) MAOAMAOBMAPK14MEN1KMT2A
SCHEMBL9105573 0.91 MAOA (0.36) MAOAMAOBMAPK14MEN1KMT2A
SCHEMBL9105581 0.91 MAOA (0.36) MAOAMAOBMAPK14MEN1KMT2A
SCHEMBL9102911 0.87 HRH3 (0.44) —
SCHEMBL9101356 0.87 HRH3 (0.44) —
SCHEMBL9101346 0.87 HRH3 (0.44) —
SCHEMBL9100697 0.87 HRH3 (0.39) —
SCHEMBL9100703 0.87 HRH3 (0.39) —

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 MAOA 1151/4885MAOB 745/4885MAPK14 2335/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 MAOA 1151/4885MAOB 745/4885MAPK14 2335/4885

“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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