SCHEMBL24878638

SCHEMBL24878638

COC(=O)N1CCN(C(=O)c2nn(CC(=O)N3CCN(c4cccc(C)c4C)CC3)c3c2CCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
IDO1 P14902 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 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
SCHEMBL30129130 1.00 ALOX15 (0.53) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL21995741 0.92 MAPT (0.54) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL31011269 0.92 MAPT (0.54) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL21995906 0.91 ALOX15 (0.51) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL24878360 0.91 ALOX15 (0.53) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL24878046 0.90 MAPT (0.52) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL24877723 0.90 MAPT (0.56) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL30128853 0.90 MAPT (0.56) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL21996041 0.89 MAPT (0.52) ALOX15MAPTALDH1A1IDO1KDM4E
SCHEMBL31011196 0.89 MAPT (0.52) ALOX15MAPTALDH1A1IDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU ALOX15 633/4885MAPT 2271/4885ALDH1A1 328/4885

“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.