SCHEMBL12890239

SCHEMBL12890239

COc1cccc(OCNC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
MAOB P27338 5/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APP P05067 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46

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
SCHEMBL7868616 0.79 ADRB2 (0.58) MTNR1AMTNR1BLMNA
SCHEMBL21793225 0.78 ADRB2 (0.74) MAPK1TSHRKDM4E
SCHEMBL5786398 0.76 MAPK1 (0.64) MTNR1AMTNR1BMAOBMAPK1TSHR
SCHEMBL2954251 0.75 CASR (0.60) KDM4EMEN1KMT2ATAAR1
SCHEMBL11306471 0.74 MAOB (0.62) MTNR1AMTNR1BMAOBMAPK1TSHR
SCHEMBL1729519 0.74 MAPK1 (0.75) MTNR1AMTNR1BMAOBMAPK1TSHR
SCHEMBL13937702 0.73 MGLL (0.56) MAPK1NPSR1MEN1KMT2A
1,3-Dimethoxybenzene SCHEMBL9350 0.73 ACHE (0.70) MAOBLMNACYP1A2CYP3A4CYP2C9
1,3-Dimethoxybenzene SCHEMBL901285 0.73 ACHE (0.70) MAOBLMNACYP1A2CYP3A4CYP2C9
SCHEMBL1496491 0.73 TSHR (0.70) MTNR1AMTNR1BMAOBMAPK1TSHR

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 MTNR1A 3150/4885MTNR1B 2823/4885MAOB 3132/4885

“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.