SCHEMBL6801993

SCHEMBL6801993

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
F2 P00734 2/20 0.52
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
ALOX12 P18054 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SCN9A Q15858 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5718078 0.87 F2 (0.50) KCNQ3KCNQ2F2ALDH1A1SMN1; SMN2
SCHEMBL5718093 0.84 KCNQ3 (0.53) KCNQ3KCNQ2F2ALDH1A1ALOX12
SCHEMBL5838152 0.79 KCNQ3 (0.48) KCNQ3KCNQ2F2SLC6A2SLC6A4
SCHEMBL5717968 0.79 KCNQ3 (0.48) KCNQ3KCNQ2F2SLC6A2SLC6A4
SCHEMBL5839244 0.78 KCNQ3 (0.47) KCNQ3KCNQ2F2SMN1; SMN2TAAR1
SCHEMBL5838001 0.78 KCNQ3 (0.44) KCNQ3KCNQ2F2SMN1; SMN2TAAR1
SCHEMBL5717882 0.77 KCNQ3 (0.43) KCNQ3KCNQ2F2SMN1; SMN2TAAR1
SCHEMBL5717993 0.76 KCNQ3 (0.46) KCNQ3KCNQ2F2ALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL5718065 0.76 KCNQ3 (0.44) KCNQ3KCNQ2F2SMN1; SMN2TAAR1
SCHEMBL5718138 0.76 KCNQ3 (0.46) KCNQ3KCNQ2F2ALDH1A1KDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US disclosed
US-6649616-B2 For therapy and prophylaxis of cardiovascular disorders caused by ischaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 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 (2 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-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885F2 995/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885F2 995/4885

“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.