SCHEMBL6740608

SCHEMBL6740608

C[C@H](NC(=O)C1CCCCC1c1cccc(CN(C)C(C)(C)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.61
KCNQ2 O43526 4/20 0.61
SCN9A Q15858 1/20 0.47
KCNQ4 P56696 2/20 0.45
KCNQ5 Q9NR82 2/20 0.45
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
EPHX1 P07099 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36
PTGES O14684 2/20 0.35

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
SCHEMBL6740611 1.00 KCNQ3 (0.61) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6737629 0.90 KCNQ3 (0.65) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6738273 0.85 KCNQ3 (0.37) KCNQ3KCNQ2
SCHEMBL6738276 0.85 KCNQ3 (0.37) KCNQ3KCNQ2
SCHEMBL6736355 0.79 KCNQ3 (0.67) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6736357 0.79 KCNQ3 (0.67) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6738429 0.78 KCNQ3 (0.66) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6732177 0.76 KCNQ3 (0.70) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6739891 0.75 KCNQ3 (0.67) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6732121 0.74 KCNQ3 (0.78) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2004-11-25 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-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases CYP46A1, REN, CYP11B2 KCNQ3 3634/4885KCNQ2 3637/4885SCN9A 4715/4885

“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.