SCHEMBL21166194

SCHEMBL21166194

CC(C)c1ncccc1C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ PLCG1 P19174 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ NPC1 O15118 2/20 0.30

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
SCHEMBL1106138 0.83 CA2 (0.38) ALDH1A1TRPM8PDK2PLCG1IDH1
SCHEMBL27305756 0.80 TRPM8 (0.37) TRPM8PDK2PLCG1GAA
SCHEMBL4547925 0.78 TRPM8 (0.47) TRPM8
SCHEMBL13180334 0.77 PLCG1 (0.36) ALDH1A1TRPM8PLCG1
SCHEMBL2083721 0.75 P2RX7 (0.39) ALDH1A1PLCG1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL20193840 0.74 CYP1A2 (0.32) CYP1A2
SCHEMBL364693 0.74 GABRA1 (0.50) ALDH1A1CYP3A4PDK2SMN1; SMN2L3MBTL1
SCHEMBL31155959 0.74 GABRA1 (0.50) ALDH1A1CYP3A4PDK2SMN1; SMN2L3MBTL1
SCHEMBL21166180 0.73 CA2 (0.37) ALDH1A1CYP3A4CYP2C19PLCG1SMN1; SMN2
SCHEMBL646416 0.73 NAPRT (0.42) ALDH1A1PLCG1SMN1; SMN2L3MBTL1KMT2A

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 — — US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 — — 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885CYP3A4 1136/4885CYP2C19 1451/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885CYP3A4 1136/4885CYP2C19 1451/4885

“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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