SCHEMBL20464225

SCHEMBL20464225

CC(C)(C)C1CCCN(C(=O)CO)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD11B1 P28845 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 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
SCHEMBL26502890 0.89 CYP2D6 (0.44) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL13781662 0.86 MEN1 (0.44) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL24627258 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL13781665 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL23710179 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL12384401 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL25034509 0.81 CHRNB2 (0.35) HSD11B1CYP2D6KCNH2HRH3
SCHEMBL12384390 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL12384428 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL24777816 0.80 CYP2D6 (0.38) ALDH1A1LMNAHSD11B1SMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 — — US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 — — 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-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA ALDH1A1 374/4885LMNA 1681/4885MEN1 2200/4885
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNK3 ALDH1A1 1717/4885LMNA 2214/4885MEN1 1980/4885

“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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