SCHEMBL21165844

SCHEMBL21165844

CC(C)CNC(=O)C(C)CCCCNC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
BRD4 O60885 1/20 0.35
DRD2 P14416 6/20 0.34

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
SCHEMBL23770334 0.81 POLB (0.46) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL26859064 0.78 CYP2D6 (0.45) EPHX1POLBKMT2ACYP2D6CYP2C19
SCHEMBL18630501 0.78 POLB (0.41) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL21533856 0.76 POLB (0.47) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL13456159 0.76 EPHX1 (0.47) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL8932181 0.75 CYP2D6 (0.54) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL18622113 0.75 POLB (0.57) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL7294011 0.75 EPHX1 (0.56) EPHX1CYP2D6CYP2C19
SCHEMBL7277162 0.74 EPHX1 (0.50) EPHX1CYP2D6CYP2C19CA2MMP1
SCHEMBL10074426 0.74 POLB (0.46) EPHX1POLBALDH1A1SMN1; SMN2MEN1

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 EPHX1 2639/4885POLB 4802/4885ALDH1A1 1320/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 EPHX1 2639/4885POLB 4802/4885ALDH1A1 1320/4885

“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.