SCHEMBL6733285

SCHEMBL6733285

O=C(N[C@@H](CO)c1ccccc1)[C@H]1CCCC[C@@H]1c1ccc(CN(C(=O)N2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.63
KCNQ2 O43526 5/20 0.63
KCNQ4 P56696 2/20 0.42
KCNQ5 Q9NR82 2/20 0.42
GPR88 Q9GZN0 4/20 0.39
CHRNA7 P36544 4/20 0.37
ATM Q13315 1/20 0.36
CCR5 P51681 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ACKR3 P25106 3/20 0.34
KCNH2 Q12809 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL6733188 0.82 ALDH1A1 (0.40) KCNQ3KCNQ2ATMSLC6A2SLC6A4
SCHEMBL5717911 0.80 KCNQ3 (0.44) KCNQ3KCNQ2KCNH2SCN9A
SCHEMBL6737836 0.75 PREP (0.39) KCNQ3KCNQ2ATMSLC6A2SLC6A4
SCHEMBL5718155 0.75 ALDH1A1 (0.42) ATM
SCHEMBL6732177 0.73 KCNQ3 (0.70) KCNQ3KCNQ2KCNQ4KCNQ5SLC6A2
SCHEMBL5717968 0.72 KCNQ3 (0.48) KCNQ3KCNQ2KCNQ4KCNQ5GPR88
SCHEMBL5717972 0.70 KCNQ3 (0.41) KCNQ3KCNQ2SLC6A2SLC6A4KCNH2
SCHEMBL6731870 0.70 KCNQ3 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5SLC6A2
SCHEMBL5838740 0.70 PTPRB (0.42) SLC6A2SLC6A4
SCHEMBL5837873 0.69 KCNQ3 (0.44) KCNQ3KCNQ2KCNQ4KCNQ5GPR88

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.