SCHEMBL31127136

SCHEMBL31127136

CCCCOC(=O)N1CCc2c1cc(N1CCOCC1)nc2Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ AKT1 P31749 17/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PIK3CD O00329 5/20 0.41
▸ PIK3CA P42336 5/20 0.41
▸ PIK3CB P42338 5/20 0.41
▸ PIK3CG P48736 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41

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
SCHEMBL21166287 0.81 AKT1 (0.43) SMN1; SMN2AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL914055 0.67 MAPT (0.54) SMN1; SMN2LMNAPOLBNPC1MAPT
SCHEMBL12983551 0.67 PIK3CA (0.55) AKT1NPC1RAB9APIK3CA
SCHEMBL29921859 0.67 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPOLBNPC1MAPT
SCHEMBL30955287 0.66 BCHE (0.46) SMN1; SMN2LMNAPOLBAKT1NPC1
SCHEMBL21143651 0.65 MTOR (0.42) SMN1; SMN2AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL31127096 0.65 MTOR (0.42) SMN1; SMN2AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL533646 0.64 POLB (0.97) SMN1; SMN2LMNAPOLBNPC1MAPT
SCHEMBL1968116 0.64 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPOLBNPC1MAPT
SCHEMBL30955263 0.64 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 — — 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 SMN1; SMN2 1109/4885LMNA 1529/4885POLB 4802/4885

“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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