SCHEMBL1242299

SCHEMBL1242299

O=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
NAMPT P43490 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNA5 P22460 5/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 3/20 0.45
CHRNA7 P36544 3/20 0.44
ROCK2 O75116 2/20 0.44
HDAC4 P56524 1/20 0.44
ITK Q08881 1/20 0.43

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
SCHEMBL1242295 1.00 CYP3A4 (0.47) CYP3A4NAMPTALDH1A1LMNAGAA
SCHEMBL1242161 0.83 KCNA5 (0.51) ALDH1A1LMNASMN1; SMN2KCNA5KCNH2
SCHEMBL1242260 0.81 KCNA5 (0.50) LMNASMN1; SMN2KCNA5KCNH2
SCHEMBL1242489 0.81 KCNA5 (0.50) LMNASMN1; SMN2KCNA5KCNH2
SCHEMBL1242484 0.81 KCNA5 (0.50) LMNASMN1; SMN2KCNA5KCNH2
SCHEMBL9901968 0.80 KCNA5 (0.58) SMN1; SMN2KCNA5KCNH2
SCHEMBL9902165 0.80 KCNA5 (0.58) SMN1; SMN2KCNA5KCNH2
SCHEMBL4577826 0.78 KCNA5 (0.53) ALDH1A1KCNA5KCNH2
SCHEMBL1242273 0.77 KCNA5 (0.56) LMNAHTTSMN1; SMN2KCNA5KCNH2
SCHEMBL1240787 0.76 KCNA5 (0.53) CYP3A4ALDH1A1GAAKCNA5CYP2C9

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 CYP3A4 1526/4885NAMPT 1389/4885ALDH1A1 2989/4885

“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.