SCHEMBL5841828

SCHEMBL5841828

COc1cccc(N2CC(C(=O)O)CC2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 2/20 0.65
TP53 P04637 5/20 0.61
RECQL P46063 1/20 0.59
TSHR P16473 2/20 0.59
POLB P06746 2/20 0.59
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.57
USP2 O75604 1/20 0.57
GAA P10253 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRK2 P25098 1/20 0.55
KMT2A Q03164 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL11643132 0.89 RECQL (0.67) NPSR1MAPTRECQLTSHRPOLB
SCHEMBL26409829 0.88 NPSR1 (0.65) NPSR1MAPTTP53TSHRPOLB
SCHEMBL6270203 0.86 HTT (0.63) MAPTRECQLTSHRPOLBLMNA
SCHEMBL5842793 0.84 RECQL (0.74) NPSR1MAPTRECQLTSHRPOLB
SCHEMBL3365323 0.84 TP53 (0.57) NPSR1MAPTTP53RECQLTSHR
SCHEMBL3364167 0.84 TSHR (0.56) NPSR1TP53TSHRPOLBALDH1A1
SCHEMBL3364170 0.84 TSHR (0.56) NPSR1TP53TSHRPOLBALDH1A1
SCHEMBL3365332 0.84 TP53 (0.57) NPSR1MAPTTP53RECQLTSHR
SCHEMBL3365330 0.84 TP53 (0.57) NPSR1MAPTTP53RECQLTSHR
SCHEMBL6267110 0.83 TSHR (0.63) TP53RECQLTSHRPOLBALDH1A1

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-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

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 NPSR1 24/4885MAPT 4395/4885TP53 4187/4885

“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.