SCHEMBL5149201

SCHEMBL5149201

CN(C[C]=O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
SIGMAR1 Q99720 7/20 0.55
AOC3 Q16853 1/20 0.52
FDPS P14324 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
Demelverine SCHEMBL1516521 0.81 SIGMAR1 (0.76) TAAR1SIGMAR1AOC3FDPS
SCHEMBL1176965 0.81 MAOA (0.67) TAAR1SIGMAR1AOC3ALDH1A1
SCHEMBL10690113 0.81 TAAR1 (0.55) TAAR1SIGMAR1AOC3
SCHEMBL2584302 0.80 PYCR1 (0.66) SIGMAR1AOC3ALDH1A1
Hydrochloric Acid SCHEMBL28077090 0.79 LMNA (0.68) TAAR1SIGMAR1AOC3ALDH1A1
SCHEMBL9768687 0.79 SIGMAR1 (0.73) TAAR1SIGMAR1AOC3FDPS
Oxalic Acid SCHEMBL10689565 0.78 TAAR1 (0.49) TAAR1SIGMAR1AOC3FDPS
SCHEMBL1300012 0.76 TAAR1 (0.59) TAAR1SIGMAR1AOC3FDPS
Demelverine SCHEMBL7778459 0.76 SIGMAR1 (0.63) TAAR1SIGMAR1AOC3FDPSALDH1A1
SCHEMBL8293202 0.75 TAAR1 (0.64) TAAR1SIGMAR1AOC3

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-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 TAAR1 4374/4885SIGMAR1 3314/4885AOC3 4053/4885

“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.