SCHEMBL30128971

SCHEMBL30128971

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCN(c4ccccc4Cl)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
IDO1 P14902 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ELANE P08246 1/20 0.38
CXCR3 P49682 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL24878451 1.00 ALOX15 (0.50) ALOX15SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL30129254 0.94 IDO1 (0.47) ALOX15SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL24878560 0.94 IDO1 (0.47) ALOX15SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL24877807 0.94 IDO1 (0.47) ALOX15SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL24877871 0.93 ALOX15 (0.47) ALOX15SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL30128889 0.92 ALOX15 (0.51) ALOX15IDO1MEN1KMT2AALDH1A1
SCHEMBL24878083 0.92 ALOX15 (0.51) ALOX15IDO1MEN1KMT2AALDH1A1
SCHEMBL30128987 0.91 ALOX15 (0.50) ALOX15SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL24878533 0.91 ALOX15 (0.50) ALOX15SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL24878561 0.91 ALOX15 (0.48) ALOX15SMN1; SMN2IDO1MEN1KMT2A

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 633/4885SMN1; SMN2 3055/4885IDO1 1/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ALOX15 859/4885SMN1; SMN2 2974/4885IDO1 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.