SCHEMBL645083

SCHEMBL645083

COC(=O)CCNC(=O)C(c1ccccc1)C1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA1 P00915 1/20 0.41
CHRM3 P20309 2/20 0.40

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
SCHEMBL646175 0.88 TP53 (0.46) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL644994 0.72 CA12 (0.50) ALDH1A1CYP3A4CYP2D6CA12CA7
SCHEMBL6264679 0.70 CA1 (0.48) ALDH1A1TP53TDP1CA1
SCHEMBL28013475 0.67 PTGS1 (0.54) ALDH1A1TSHRTDP1
SCHEMBL11836972 0.66 MCL1 (0.54) ALDH1A1TP53TDP1CA1CHRM3
SCHEMBL14292324 0.66 MAPT (0.68) ALDH1A1TP53CA1
SCHEMBL28789732 0.66 MAPT (0.68) ALDH1A1TP53CA1
SCHEMBL28012787 0.66 PTGS1 (0.44)
SCHEMBL10493317 0.65 CA1 (0.55) ALDH1A1TP53CA1
SCHEMBL7398925 0.64 SLC15A1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326151-B Improved method for the production of ramipril SANOFI AVENTIS DEUTSCHLAND 2015-01-07 CN disclosed
US-8119375-B2 Method for the production of ramipril SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-02-21 US disclosed
US-20090017509-A1 METHOD FOR THE PRODUCTION OF RAMIPRIL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-01-15 US disclosed
CN-101326151-A Improved method for the production of ramipril SANOFI AVENTIS DEUTSCHLAND (DE) 2008-12-17 CN 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-20090017509-A1 METHOD FOR THE PRODUCTION OF RAMIPRIL REN, PDE8B, PDE3A ALDH1A1 460/4885TP53 4824/4885CYP1A2 59/4885

“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.