SCHEMBL12890296

SCHEMBL12890296

CC(C)NC(=O)CCc1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PSMB5 P28074 2/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37

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
SCHEMBL27361629 0.82 HPGD (0.44) ALDH1A1SMN1; SMN2HTTHDAC3HDAC1
SCHEMBL27362659 0.79 CYP1A2 (0.39) ALDH1A1SMN1; SMN2HTTHDAC3HDAC1
SCHEMBL21576120 0.79 LMNA (0.39) ALDH1A1SMN1; SMN2HTTHDAC3HDAC1
SCHEMBL1532612 0.76 HDAC3 (0.41) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27942339 0.76 HDAC3 (0.42) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL7004600 0.76 CCNC (0.42) ALDH1A1HTTHDAC3HDAC1HDAC2
SCHEMBL1648472 0.74 KDM4E (0.45) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL21890782 0.74 CYP1A2 (0.57) ALDH1A1POLBLMNACYP1A2
SCHEMBL1838869 0.73 ADORA3 (0.47) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL24158585 0.72 MEN1 (0.38) ALDH1A1HDAC3HDAC1HDAC2HDAC6

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-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ALDH1A1 2989/4885SMN1; SMN2 4477/4885HTT 2474/4885

“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.