SCHEMBL21995922

SCHEMBL21995922

Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)O)c4c3CCC(F)(F)C4)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IDO1 P14902 1/20 0.48
ADAMTS5 Q9UNA0 2/20 0.45
TP53 P04637 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL21995982 0.93 MAPT (0.48) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL21995886 0.92 ADAMTS5 (0.46) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL21995960 0.92 MAPT (0.51) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL31011182 0.91 IDO1 (0.49) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL21995913 0.91 IDO1 (0.49) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL21995748 0.90 MAPT (0.49) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL31011265 0.86 MAPT (0.55) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL21995945 0.86 MAPT (0.55) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL21995747 0.85 MAPT (0.54) MAPTALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL24878749 0.83 IDO1 (0.43) MAPTALDH1A1ALOX15KDM4EHSD17B10

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 6 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
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 MAPT 2271/4885ALDH1A1 328/4885ALOX15 633/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC MAPT 2376/4885ALDH1A1 325/4885ALOX15 859/4885

“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.