SCHEMBL6736355

SCHEMBL6736355

C[C@H](NC(=O)C1CCCCC1c1cccc(COc2ccccc2)c1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.67
KCNQ2 O43526 3/20 0.67
SCN9A Q15858 1/20 0.50
KCNQ4 P56696 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
ACACB O00763 3/20 0.47
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
ACACA Q13085 1/20 0.44
PTGER4 P35408 2/20 0.43
PTGER2 P43116 2/20 0.43
HPGD P15428 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL6736357 1.00 KCNQ3 (0.67) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6732699 0.89 KCNQ3 (0.71) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6732078 0.89 KCNQ3 (0.71) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6737872 0.82 RAB9A (0.54) RAB9ALMNAFFAR1
SCHEMBL6737874 0.82 RAB9A (0.54) RAB9ALMNAFFAR1
SCHEMBL6740611 0.79 KCNQ3 (0.61) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6740608 0.79 KCNQ3 (0.61) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6732121 0.78 KCNQ3 (0.78) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6741277 0.78 KCNQ3 (0.85) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL6741274 0.78 KCNQ3 (0.85) 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.