SCHEMBL7068481

SCHEMBL7068481

CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)N(Cc1ccc([C@@H]2CCCC[C@H]2C(=O)O)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35
PTPRB P23467 1/20 0.34
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM4 P08173 2/20 0.33
STAT3 P40763 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7067646 0.93 SMN1; SMN2 (0.34) SLC6A2CHRM2CHRM1CHRM3STAT3
SCHEMBL5838284 0.92 SLC6A2 (0.37) ATMSLC6A2SLC6A4PTPRBPTPN11
SCHEMBL5718068 0.85 ATM (0.40) ATMSLC6A2SLC6A4ALDH1A1CNR2
SCHEMBL5839575 0.84 KDM1A (0.34) SLC6A2SLC6A4ALDH1A1STAT3CNR2
SCHEMBL5838287 0.82 ATM (0.33) ATMPTPRBPTPN11ALDH1A1CHRM2
SCHEMBL5839005 0.80 SLC6A2 (0.39) ATMSLC6A2SLC6A4PTPRBPTPN11
SCHEMBL5846941 0.78 GAA (0.40) CHRM2CHRM1CHRM3STAT3CNR2
SCHEMBL5718166 0.78 GAA (0.40) CHRM2CHRM1CHRM3STAT3CNR2
SCHEMBL5839578 0.75 TRPA1 (0.31) CHRM1CHRM3STAT3CNR2CNR1
SCHEMBL5839474 0.72 SLC6A2 (0.36) SLC6A2SLC6A4CHRM1CHRM3STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 ATM 4611/4885SLC6A2 1862/4885SLC6A4 2786/4885

“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.