SCHEMBL21995913

SCHEMBL21995913

Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCCC4)c4c3CCC(F)(F)C4)CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
MAPT P10636 4/20 0.48
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL31011182 1.00 IDO1 (0.49) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL21995922 0.91 MAPT (0.48) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL24878749 0.88 IDO1 (0.43) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL21995741 0.88 MAPT (0.54) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL30128853 0.88 MAPT (0.56) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL24877723 0.88 MAPT (0.56) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL31011269 0.88 MAPT (0.54) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL21995748 0.87 MAPT (0.49) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL24878535 0.87 IDO1 (0.49) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL30129280 0.87 IDO1 (0.49) IDO1MAPTALOX15ALDH1A1KDM4E

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 7 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
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 2271/4885ALOX15 633/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC IDO1 1/4885MAPT 2376/4885ALOX15 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.