SCHEMBL6890519

SCHEMBL6890519

O=C(O)CCC1CNc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
CCKBR P32239 2/20 0.42

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
SCHEMBL8524579 0.91 EGFR (0.52) EGFRCCKBR
SCHEMBL12115366 0.86 EGFR (0.51) EGFRCCKBR
SCHEMBL12397032 0.86 MTNR1A (0.40) CCKBR
SCHEMBL9586168 0.84 EGFR (0.48) EGFR
SCHEMBL3964364 0.83 EGFR (0.47) EGFRCCKBR
SCHEMBL2605809 0.83 EGFR (0.47) EGFRCCKBR
SCHEMBL3958089 0.83 EGFR (0.47) EGFRCCKBR
SCHEMBL19172524 0.82 EGFR (0.44) EGFR
SCHEMBL12371021 0.82 CCKBR (0.37) CCKBR
SCHEMBL10819633 0.82 ALDH1A1 (0.37) CCKBR

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
US-20080207731-A1 3-(3-INDOLYL) PROPIONIC ACID CALCIUM SALT AND METHOD OF MAKING 3-(3-INDOLYL) PROPIONIC ACID FREE ACID THEREFROM INTELLECT NEUROSCIENCES, INC. (US) 2008-08-28 US disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO 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-20080207731-A1 3-(3-INDOLYL) PROPIONIC ACID CALCIUM SALT AND METHOD OF MAKING 3-(3-INDOLYL) PROPIONIC ACID FREE ACID THEREFROM ORAI1, SARAF, ORAI3 EGFR 3287/4885CCKBR 2936/4885

“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.