SCHEMBL6732183

SCHEMBL6732183

COc1ccc(C2CCCCC2C(=O)N[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.80
KCNQ2 O43526 3/20 0.80
KCNQ4 P56696 1/20 0.56
KCNQ5 Q9NR82 1/20 0.56
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.52
SCN9A Q15858 1/20 0.52
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRNA7 P36544 1/20 0.49
GPR88 Q9GZN0 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
KDM1A O60341 1/20 0.47
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL6732185 1.00 KCNQ3 (0.80) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL6741227 0.87 KCNQ3 (0.85) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL6741277 0.87 KCNQ3 (0.85) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL6741274 0.87 KCNQ3 (0.85) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL6732078 0.86 KCNQ3 (0.71) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL6741493 0.86 KCNQ3 (0.83) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL6732699 0.84 KCNQ3 (0.71) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL3412005 0.83 KCNH2 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL6732121 0.83 KCNQ3 (0.78) KCNQ3KCNQ2KCNQ4KCNQ5RECQL
SCHEMBL6738385 0.83 KCNQ3 (0.78) KCNQ3KCNQ2KCNQ4KCNQ5POLB

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.