SCHEMBL6737629

SCHEMBL6737629

C[C@H](NC(=O)[C@H]1CCCC[C@@H]1c1ccc(CN(C)C(C)(C)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.65
KCNQ2 O43526 3/20 0.65
KCNQ4 P56696 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
SCN9A Q15858 1/20 0.46
RECQL P46063 1/20 0.43
KCNH2 Q12809 1/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 3/20 0.39
EPHX1 P07099 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL6740608 0.90 KCNQ3 (0.61) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6740611 0.90 KCNQ3 (0.61) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6732177 0.86 KCNQ3 (0.70) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6739893 0.84 KCNQ3 (0.70) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6738429 0.84 KCNQ3 (0.66) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6733197 0.84 SLC6A2 (0.42) KCNQ3KCNQ2ALDH1A1SLC6A2
SCHEMBL6739891 0.83 KCNQ3 (0.67) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6732121 0.81 KCNQ3 (0.78) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6738385 0.81 KCNQ3 (0.78) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6731870 0.80 KCNQ3 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A

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 3637/4885KCNQ4 3991/4885

“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.