SCHEMBL7067646

SCHEMBL7067646

CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)N(Cc1ccc([C@@H]2CCCC[C@H]2C(=O)O)cc1)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
LTC4S Q16873 2/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
TBXA2R P21731 1/20 0.33
CHRM5 P08912 1/20 0.33
STAT3 P40763 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
CHRM2 P08172 1/20 0.32
ALOX5AP P20292 2/20 0.32
CCR5 P51681 1/20 0.32
SLC6A2 P23975 1/20 0.32
GPR88 Q9GZN0 1/20 0.31

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
SCHEMBL7068481 0.93 ATM (0.36) CNR2CNR1CHRM1CHRM3STAT3
SCHEMBL5839575 0.91 KDM1A (0.34) CNR2CNR1STAT3CCR5SLC6A2
SCHEMBL5718166 0.86 GAA (0.40) SMN1; SMN2CNR2CNR1TAAR1CHRM1
SCHEMBL5846941 0.86 GAA (0.40) SMN1; SMN2CNR2CNR1TAAR1CHRM1
SCHEMBL5838284 0.85 SLC6A2 (0.37) CNR2CNR1CHRM1CHRM3CHRM5
SCHEMBL5839578 0.83 TRPA1 (0.31) CNR2CNR1CHRM1CHRM3CHRM5
SCHEMBL5839474 0.80 SLC6A2 (0.36) CNR2CNR1CHRM1CHRM3CHRM5
SCHEMBL5718068 0.78 ATM (0.40) CNR2CNR1LTB4R2SLC6A2
SCHEMBL5838287 0.75 ATM (0.33) CNR2CNR1CHRM1CHRM3STAT3
SCHEMBL5839005 0.73 SLC6A2 (0.39) CNR2CNR1CHRM1CHRM3CHRM5

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 SMN1; SMN2 2130/4885LTC4S 917/4885CNR2 16/4885

“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.