SCHEMBL21165837

SCHEMBL21165837

CC(=O)NCC(C)CCC(C)C(=O)NCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MMP1 P03956 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ MLYCD O95822 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ EPHX1 P07099 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ MAPK1 P28482 1/20 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
SCHEMBL12119814 0.81 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8MTNR1A
SCHEMBL24919756 0.79 ALDH1A1 (0.39) CYP2D6CYP2C19MTNR1AMTNR1BEPHX1
SCHEMBL91326 0.78 — —
SCHEMBL25086839 0.77 CYP2D6 (0.46) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL22959001 0.77 ALDH1A1 (0.39) CYP2D6CYP2C19MMP1MMP8MTNR1A
Hydrochloric Acid SCHEMBL30777456 0.76 — —
SCHEMBL9462565 0.75 MAPK1 (0.49) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL10062233 0.73 MTNR1A (0.44) CYP2D6CYP2C19MMP1MMP8MTNR1A
SCHEMBL14953743 0.72 ALDH1A1 (0.39) CYP2D6CYP2C19MTNR1AMTNR1BALDH1A1
SCHEMBL8436494 0.72 TSHR (0.42) CYP2D6CYP2C19MTNR1AMTNR1BEPHX1

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 CYP2D6 1366/4885CYP2C19 1451/4885MMP1 4640/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CYP2D6 1366/4885CYP2C19 1451/4885MMP1 4640/4885

“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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