SCHEMBL21995756

SCHEMBL21995756

CCOC(=O)c1nn(CC(=O)O)c2c1CCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
CDK4 P11802 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4159155 0.91 LMNA (0.42) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3502692 0.90 BRD4 (0.45) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3503568 0.86 HTT (0.44) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL21995928 0.86 BRD4 (0.39) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3503750 0.85 BRD4 (0.41) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL25626841 0.85 BRD4 (0.41) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL24877933 0.85 BRD4 (0.38) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL21752581 0.84 LMNA (0.49) BRD4NPSR1ALDH1A1LMNAKDM4E
SCHEMBL4170831 0.84 BRD4 (0.41) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL4162934 0.83 CYP19A1 (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDTP53

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 BRD4 696/4885MEN1 3710/4885KMT2A 520/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC BRD4 870/4885MEN1 3496/4885KMT2A 567/4885

“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.