SCHEMBL30128987

SCHEMBL30128987

CCc1ccccc1N1CCN(C(=O)Cn2nc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c3c2CCC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
IDO1 P14902 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCR3 P49682 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 2/20 0.37
KCNJ2 P63252 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL24878533 1.00 ALOX15 (0.50) ALOX15IDO1MEN1KMT2ACXCR3
SCHEMBL24878083 0.92 ALOX15 (0.51) ALOX15IDO1MEN1KMT2ACXCR3
SCHEMBL30128889 0.92 ALOX15 (0.51) ALOX15IDO1MEN1KMT2ACXCR3
SCHEMBL30128971 0.91 ALOX15 (0.50) ALOX15IDO1MEN1KMT2ACXCR3
SCHEMBL24878451 0.91 ALOX15 (0.50) ALOX15IDO1MEN1KMT2ACXCR3
SCHEMBL24877880 0.90 IDO1 (0.53) ALOX15IDO1MEN1KMT2APOLB
SCHEMBL30129204 0.90 IDO1 (0.53) ALOX15IDO1MEN1KMT2APOLB
SCHEMBL24878561 0.89 ALOX15 (0.48) ALOX15IDO1MEN1KMT2ACXCR3
SCHEMBL24878128 0.89 ALOX15 (0.47) ALOX15IDO1MEN1KMT2ACXCR3
SCHEMBL30129063 0.89 ALOX15 (0.47) ALOX15IDO1MEN1KMT2ACXCR3

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 4 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
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP 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 1/4885MEN1 3710/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ALOX15 859/4885IDO1 1/4885MEN1 3496/4885

“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.