SCHEMBL1241983

SCHEMBL1241983

CC(C)(C)N(C(=O)O)C(c1ccccc1)C(O)(c1ccccn1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
KCNA5 P22460 2/20 0.37
BLM P54132 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
PGR P06401 1/20 0.37
THRB P10828 1/20 0.37
ADRB3 P13945 1/20 0.37
OPRK1 P41145 1/20 0.37
PMP22 Q01453 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL17076396 0.78 ATM (0.40) L3MBTL1POLBKCNA5CYP2D6LMNA
SCHEMBL17076397 0.78 ATM (0.40) L3MBTL1POLBKCNA5CYP2D6LMNA
SCHEMBL1242947 0.76 KCNA5 (0.67) KCNA5CYP3A4KCNH2TDP1LMNA
SCHEMBL1242823 0.76 KCNA5 (0.67) KCNA5CYP3A4KCNH2TDP1LMNA
SCHEMBL28340791 0.76 ATM (0.41) L3MBTL1POLBCYP2D6LMNAMEN1
SCHEMBL9903425 0.69 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBCYP2D6OPRK1
SCHEMBL1827357 0.68 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1POLBBLMCYP3A4
SCHEMBL9928452 0.68 GABRB1 (0.47) CYP3A4CYP2D6LMNAMEN1MAPK1
SCHEMBL14908702 0.67 KDM4E (0.55) LMNAALDH1A1GAA
SCHEMBL5065158 0.67 KDM4E (0.55) LMNAALDH1A1GAA

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 SMN1; SMN2 4477/4885L3MBTL1 519/4885POLB 4819/4885

“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.