SCHEMBL5841173

SCHEMBL5841173

O=C(O)C1CC(=O)N(C2Cc3ccccc3C2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 2/20 0.52
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
ALOX15 P16050 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL5841956 0.86 SMN1; SMN2 (0.46) POLBGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL3655855 0.79 POLB (0.83) POLBGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5843795 0.79 ALDH1A1 (0.65) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL5843404 0.79 ALDH1A1 (0.68) GAAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6608925 0.77 BCHE (0.41) POLBGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5843865 0.77 ALDH1A1 (0.62) POLBSMN1; SMN2ALDH1A1
SCHEMBL1850544 0.75 CYP2D6 (0.63) POLBGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL23177789 0.75 POLB (1.00) POLBGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL891915 0.75 POLB (1.00) POLBGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL892508 0.75 CA12 (0.66) POLBMAPTCASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP claimed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO claimed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R POLB 4023/4885GAA 793/4885MAPT 4395/4885

“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.