SCHEMBL21995886

SCHEMBL21995886

Cc1c(Cl)cccc1N1CCN(C(=O)Cn2nc(C(=O)O)c3c2CCC(F)(F)C3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 7/20 0.46
ADAM17 P78536 5/20 0.46
IDO1 P14902 2/20 0.42
ALOX15 P16050 2/20 0.41
MMP2 P08253 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR1 P32246 2/20 0.41
PKM P14618 2/20 0.41
CXCR3 P49682 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL21995922 0.92 MAPT (0.48) ADAMTS5IDO1ALOX15MAPTALDH1A1
SCHEMBL24878749 0.91 IDO1 (0.43) ADAMTS5ADAM17IDO1ALOX15MMP2
SCHEMBL21995730 0.90 ALOX15 (0.41) ADAMTS5ADAM17IDO1ALOX15MMP2
SCHEMBL24878134 0.89 IDO1 (0.48) ADAMTS5ADAM17IDO1ALOX15MMP2
SCHEMBL24878369 0.88 IDO1 (0.41) ADAMTS5ADAM17IDO1ALOX15MMP2
SCHEMBL24878352 0.87 IDO1 (0.45) ADAMTS5ADAM17IDO1ALOX15MMP2
SCHEMBL21996027 0.86 ALOX15 (0.49) ADAMTS5ADAM17IDO1ALOX15MAPT
SCHEMBL24878348 0.86 IDO1 (0.61) ADAMTS5ADAM17IDO1ALOX15MMP2
SCHEMBL24878120 0.86 IDO1 (0.58) ADAMTS5ADAM17IDO1ALOX15MAPT
SCHEMBL21996079 0.86 IDO1 (0.61) ADAMTS5ADAM17IDO1ALOX15MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 WO 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 ADAMTS5 945/4885ADAM17 2809/4885IDO1 1/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ADAMTS5 897/4885ADAM17 2729/4885IDO1 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.