SCHEMBL10094294

SCHEMBL10094294

CC(C)c1cccnc1N1CCCC1CN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PRKCQ Q04759 1/20 0.36
▸ CHRNB1 P11230 2/20 0.36
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB3 Q05901 2/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CD O00329 3/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35

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
SCHEMBL2062357 0.74 TLR7 (0.43) TLR7CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL10094267 0.73 GRM4 (0.41) PRKCQSMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL10094289 0.72 PIK3C3 (0.43) —
SCHEMBL2609324 0.72 CYP1A2 (0.51) L3MBTL1SMN1; SMN2
SCHEMBL10094245 0.71 CYP1A2 (0.49) L3MBTL1
SCHEMBL10094266 0.70 PDE10A (0.48) L3MBTL1
SCHEMBL10094281 0.68 MEN1 (0.38) PRKCQCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL10094268 0.68 HDAC8 (0.43) CHRNB2CHRNA4
SCHEMBL26790144 0.68 CYP1A2 (0.45) —
SCHEMBL24246882 0.67 CYP2C19 (0.58) L3MBTL1CHRNB2CHRNA4SMN1; SMN2

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-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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 (1 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 TLR7 4843/4885L3MBTL1 519/4885PRKCQ 553/4885

“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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