SCHEMBL5844178

SCHEMBL5844178

CC(C)c1ccccc1N1CC(C(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)CC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 3/20 0.54
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5842600 0.91 ALOX15 (0.62) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL5841574 0.89 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL5841870 0.88 ALOX15 (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL27617618 0.88 ALOX15 (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL5842336 0.88 ALOX15 (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL5841918 0.87 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL5841837 0.87 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL5843598 0.87 ALOX15 (0.67) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL27617636 0.85 ALOX15 (0.55) ALOX15ALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL27617750 0.85 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2MAPTCA12

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
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN claimed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN claimed
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
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
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN 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 ALOX15 902/4885ALDH1A1 3034/4885SMN1; SMN2 3678/4885

“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.