SCHEMBL24878600

SCHEMBL24878600

Cc1ccc(N2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
MAPT P10636 5/20 0.40
IDO1 P14902 2/20 0.40
TP53 P04637 2/20 0.39
SMO Q99835 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30129213 1.00 ALOX15 (0.44) ALOX15MAPTIDO1TP53SMO
SCHEMBL24877780 0.93 ALOX15 (0.44) ALOX15MAPTIDO1TP53SMO
SCHEMBL30128918 0.93 ALOX15 (0.44) ALOX15MAPTIDO1TP53SMO
SCHEMBL30129114 0.90 ALOX15 (0.44) ALOX15MAPTIDO1SMOALDH1A1
SCHEMBL24878556 0.90 ALOX15 (0.44) ALOX15MAPTIDO1SMOALDH1A1
SCHEMBL24877794 0.89 ALOX15 (0.44) ALOX15MAPTIDO1TP53SMO
SCHEMBL30129529 0.89 ALOX15 (0.44) ALOX15MAPTIDO1TP53SMO
SCHEMBL24877963 0.89 ALOX15 (0.46) ALOX15IDO1SMOLMNAALDH1A1
SCHEMBL30128882 0.89 ALOX15 (0.46) ALOX15IDO1SMOLMNAALDH1A1
SCHEMBL24878031 0.89 ALOX15 (0.44) ALOX15MAPTIDO1TP53SMO

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 2271/4885IDO1 1/4885

“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.