SCHEMBL21996068

SCHEMBL21996068

Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)O)c4c3C[C@H]3C[C@@H]43)C3(CC3)C2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.59
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 7/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 4/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL21995983 0.93 IDO1 (0.59) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL21995985 0.93 IDO1 (0.59) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL30128970 0.89 IDO1 (0.67) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL21995918 0.89 IDO1 (0.64) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL31011225 0.89 IDO1 (0.64) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL24878517 0.89 IDO1 (0.67) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL24878380 0.87 IDO1 (0.61) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL30128805 0.87 IDO1 (0.63) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL24878511 0.87 IDO1 (0.63) IDO1NPC1RAB9AMAPTKMT2A
SCHEMBL21995973 0.86 IDO1 (0.71) IDO1NPC1RAB9AMAPTKMT2A

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 1/4885NPC1 1917/4885RAB9A 2933/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC IDO1 1/4885NPC1 2094/4885RAB9A 3024/4885

“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.