SCHEMBL21996126

SCHEMBL21996126

Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(O)CC4)c4c3CCCC4)CC2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.60
ALOX15 P16050 2/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR1 P32246 3/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 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
SCHEMBL30128898 0.92 IDO1 (0.57) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL24878437 0.92 IDO1 (0.57) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL31011189 0.91 IDO1 (0.56) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL21995742 0.91 IDO1 (0.56) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL24878105 0.91 IDO1 (0.57) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL30129298 0.91 IDO1 (0.57) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL24878527 0.90 IDO1 (0.75) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL30129505 0.90 IDO1 (0.75) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL24878525 0.89 IDO1 (0.61) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL24878389 0.89 IDO1 (0.65) IDO1ALOX15MAPTALDH1A1KDM4E

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
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
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 1/4885ALOX15 633/4885MAPT 2271/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC IDO1 1/4885ALOX15 859/4885MAPT 2376/4885

“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.