SCHEMBL30129004

SCHEMBL30129004

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCN(c4ccc(F)c(F)c4F)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
IDO1 P14902 3/20 0.39
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 3/20 0.35
MAPT P10636 2/20 0.35
SMO Q99835 1/20 0.34
NPC1 O15118 1/20 0.33
ELANE P08246 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CFD P00746 1/20 0.33

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
SCHEMBL24878639 1.00 ALOX15 (0.45) ALOX15IDO1ALDH1A1MEN1KMT2A
SCHEMBL24878031 0.93 ALOX15 (0.44) ALOX15IDO1ALDH1A1MEN1KMT2A
SCHEMBL30128924 0.92 ALOX15 (0.48) ALOX15IDO1MEN1KMT2AMAPT
SCHEMBL24877805 0.92 ALOX15 (0.48) ALOX15IDO1MEN1KMT2AMAPT
SCHEMBL30129529 0.91 ALOX15 (0.44) ALOX15IDO1ALDH1A1MEN1KMT2A
SCHEMBL24877794 0.91 ALOX15 (0.44) ALOX15IDO1ALDH1A1MEN1KMT2A
SCHEMBL30129107 0.89 ALOX15 (0.46) ALOX15IDO1ALDH1A1MEN1KMT2A
SCHEMBL24878648 0.89 ALOX15 (0.46) ALOX15IDO1ALDH1A1MEN1KMT2A
SCHEMBL24878600 0.88 ALOX15 (0.44) ALOX15IDO1ALDH1A1MEN1KMT2A
SCHEMBL30129213 0.88 ALOX15 (0.44) ALOX15IDO1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP claimed
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
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 (2 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 633/4885IDO1 1/4885ALDH1A1 328/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ALOX15 859/4885IDO1 1/4885ALDH1A1 325/4885

“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.