SCHEMBL21996047

SCHEMBL21996047

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
MAPT P10636 7/20 0.49
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 2/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADAMTS5 Q9UNA0 2/20 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
SCHEMBL21995995 0.92 IDO1 (0.50) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL30128982 0.90 IDO1 (0.58) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL21995927 0.90 IDO1 (0.58) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL31011181 0.90 IDO1 (0.58) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL21995978 0.90 IDO1 (0.53) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL31011265 0.87 MAPT (0.55) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL21995945 0.87 MAPT (0.55) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL21995747 0.86 MAPT (0.54) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL24878579 0.85 IDO1 (0.58) IDO1MAPTALDH1A1ALOX15KDM4E
SCHEMBL21995883 0.85 MAPT (0.53) IDO1MAPTALDH1A1ALOX15KDM4E

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 IDO1 1/4885MAPT 2271/4885ALDH1A1 328/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC IDO1 1/4885MAPT 2376/4885ALDH1A1 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.