SCHEMBL9103811

SCHEMBL9103811

Cc1cc(C(=O)N(C)C(CCN2CCCC2)C(C)C)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ MC4R P32245 2/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ TACR2 P21452 1/20 0.36

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
SCHEMBL9103805 1.00 KCNH2 (0.39) KCNH2HRH3MEN1KMT2AL3MBTL1
SCHEMBL9102725 0.89 CHRM2 (0.41) HRH3
SCHEMBL9102709 0.89 CHRM2 (0.41) HRH3
SCHEMBL9103204 0.86 CHRM2 (0.39) HRH3MAOAMAOB
SCHEMBL9103197 0.86 CHRM2 (0.39) HRH3MAOAMAOB
SCHEMBL9102281 0.82 CHRM2 (0.40) KCNH2HRH3
SCHEMBL9102981 0.81 CHRNA1 (0.47) HRH3TACR2
SCHEMBL9102990 0.81 CHRNA1 (0.47) HRH3TACR2
SCHEMBL31478927 0.81 CHRNA1 (0.47) HRH3TACR2
SCHEMBL9105377 0.81 MEN1 (0.39) HRH3MEN1KMT2AL3MBTL1

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 KCNH2 1/4885HRH3 942/4885MEN1 482/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 KCNH2 1/4885HRH3 942/4885MEN1 482/4885

“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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