SCHEMBL6733197

SCHEMBL6733197

CN(Cc1ccc([C@H]2CCCC[C@@H]2C(=O)O)cc1)C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 1/20 0.42
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
MAOA P21397 2/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TACR1 P25103 4/20 0.36
AGTR2 P50052 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
POLB P06746 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SLC18A3 Q16572 1/20 0.35

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
SCHEMBL6738273 0.88 KCNQ3 (0.37) SLC6A2SLC6A4KCNQ3KCNQ2CHRM2
SCHEMBL6738276 0.88 KCNQ3 (0.37) SLC6A2SLC6A4KCNQ3KCNQ2CHRM2
SCHEMBL6737629 0.84 KCNQ3 (0.65) SLC6A2KCNQ3KCNQ2ALDH1A1
SCHEMBL6737598 0.83 SLC6A2 (0.45) SLC6A2SLC6A4KCNQ3KCNQ2MAOA
SCHEMBL6844383 0.77 KCNQ3 (0.49) SLC6A2SLC6A4KCNQ3KCNQ2MAOA
SCHEMBL6742208 0.75 TAAR1 (0.40) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL6738399 0.74 SLC6A2 (0.39) SLC6A2SLC6A4KCNQ3KCNQ2MAOA
SCHEMBL6740611 0.73 KCNQ3 (0.61) KCNQ3KCNQ2POLB
SCHEMBL6740608 0.73 KCNQ3 (0.61) KCNQ3KCNQ2POLB
SCHEMBL22492058 0.73 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1

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 SLC6A2 1559/4885SLC6A4 3069/4885KCNQ3 3634/4885

“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.