SCHEMBL6732078

SCHEMBL6732078

C[C@H](NC(=O)C1CCCCC1c1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.71
KCNQ2 O43526 3/20 0.71
RAB9A P51151 1/20 0.52
ACACB O00763 4/20 0.51
KCNQ4 P56696 1/20 0.51
KCNQ5 Q9NR82 1/20 0.51
SCN9A Q15858 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.47
HPGD P15428 1/20 0.47
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ACACA Q13085 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6732699 0.96 KCNQ3 (0.71) KCNQ3KCNQ2RAB9AACACBKCNQ4
SCHEMBL6736355 0.89 KCNQ3 (0.67) KCNQ3KCNQ2RAB9AACACBKCNQ4
SCHEMBL6736357 0.89 KCNQ3 (0.67) KCNQ3KCNQ2RAB9AACACBKCNQ4
SCHEMBL6732183 0.86 KCNQ3 (0.80) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6732185 0.86 KCNQ3 (0.80) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6741227 0.84 KCNQ3 (0.85) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6741277 0.84 KCNQ3 (0.85) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6741274 0.84 KCNQ3 (0.85) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6732121 0.83 KCNQ3 (0.78) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL6738385 0.83 KCNQ3 (0.78) 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 3637/4885RAB9A 4669/4885

“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.