SCHEMBL5841673

SCHEMBL5841673

COc1cccc(N2CC(C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 2/20 0.71
USP2 O75604 1/20 0.71
GAA P10253 1/20 0.71
NPSR1 Q6W5P4 1/20 0.69
POLB P06746 1/20 0.68
TSHR P16473 2/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA13 Q8N1Q1 1/20 0.58
CA5B Q9Y2D0 1/20 0.58

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
SCHEMBL5843116 0.88 CA12 (0.72) MAPTALDH1A1GAAPOLBTSHR
SCHEMBL5842345 0.86 NPSR1 (0.64) MAPTALDH1A1USP2GAANPSR1
SCHEMBL5842932 0.85 MAPT (0.60) MAPTALDH1A1USP2GAANPSR1
SCHEMBL6613763 0.85 MAPT (0.52) MAPTALDH1A1USP2GAANPSR1
SCHEMBL5841136 0.82 TP53 (0.68) MAPTALDH1A1USP2GAAPOLB
SCHEMBL5842380 0.82 CA12 (0.68) MAPTALDH1A1USP2GAAPOLB
SCHEMBL28751764 0.82 ALDH1A1 (0.74) MAPTALDH1A1NPSR1POLBTSHR
SCHEMBL5841828 0.80 NPSR1 (0.67) MAPTALDH1A1USP2GAANPSR1
SCHEMBL5842555 0.80 NPSR1 (0.61) MAPTALDH1A1USP2GAANPSR1
SCHEMBL5842831 0.79 MAPT (0.65) MAPTALDH1A1USP2GAANPSR1

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 MAPT 4395/4885ALDH1A1 3034/4885USP2 4171/4885

“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.