SCHEMBL5843789

SCHEMBL5843789

CCN(c1ccc(NC(=O)C2CC(=O)N(CCN3CCOCC3)C2)cc1)c1nc(C)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.43
MAPT P10636 6/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP3 Q9NSD7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5841936 0.93 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1HTTNPC1
SCHEMBL5842770 0.84 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1HTTNPC1
SCHEMBL5843190 0.83 RXFP3 (0.50) ALDH1A1LMNAL3MBTL1HTTMAPT
SCHEMBL5843914 0.82 ALDH1A1 (0.72) ALDH1A1LMNAL3MBTL1HTTNPC1
SCHEMBL5843797 0.81 NPC1 (0.48) ALDH1A1LMNAL3MBTL1NPC1GAA
SCHEMBL5843794 0.81 LMNA (0.52) ALDH1A1LMNAL3MBTL1NPC1GAA
SCHEMBL5841677 0.81 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1HTTNPC1
SCHEMBL27599365 0.81 MAPT (0.67) ALDH1A1LMNAL3MBTL1HTTMAPT
SCHEMBL5843041 0.80 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1HTTNPC1
SCHEMBL6624165 0.79 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1HTTPOLB

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 ALDH1A1 3034/4885LMNA 3430/4885L3MBTL1 3047/4885

“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.