SCHEMBL1242397

SCHEMBL1242397

OCCNC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.42
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSL P07711 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CFTR P13569 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL1243189 0.81 CYP19A1 (0.46) KCNA5CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL1243241 0.81 KCNA5 (0.42) KCNA5LMNATHRBALDH1A1KMT2A
SCHEMBL1242890 0.79 NAMPT (0.45) LMNATHRBCYP2C9CYP2C19KMT2A
SCHEMBL1243521 0.76 L3MBTL1 (0.44) KCNA5LMNATHRBCYP1A2ALDH1A1
SCHEMBL1243688 0.75 KCNA5 (0.45) KCNA5LMNATHRBCYP1A2ALDH1A1
SCHEMBL1243680 0.72 NAMPT (0.47) CYP2C9CYP2C19KMT2ACYP3A4
SCHEMBL1242386 0.72 CFTR (0.41) KCNA5LMNATHRBCYP1A2ALDH1A1
SCHEMBL1242602 0.72 KCNA5 (0.43) KCNA5KMT2ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL1242315 0.70 NAMPT (0.43) LMNAALDH1A1CYP2C9KMT2ASMN1; SMN2
SCHEMBL10858982 0.70 KDM4E (0.53) KCNA5LMNACYP1A2ALDH1A1CYP2C9

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 KCNA5 11/4885LMNA 815/4885THRB 1940/4885

“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.