SCHEMBL21996096

SCHEMBL21996096

O=C(O)Cn1nc(C(=O)N2CCCC2)c2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TSHR P16473 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 4/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIA2 P42262 1/20 0.35

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
SCHEMBL21752525 0.82 LMNA (0.45) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL24878009 0.81 STAT3 (0.40) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL25097670 0.79 LMNA (0.60) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL24877850 0.77 LMNA (0.51) LMNATSHRNPSR1GAATDP1
SCHEMBL21752581 0.75 LMNA (0.49) LMNATSHRNPSR1HPGDTDP1
SCHEMBL21995741 0.73 MAPT (0.54) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL31011269 0.73 MAPT (0.54) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL27381184 0.73 SIGMAR1 (0.58) LMNATSHRNPSR1KMT2AHPGD
SCHEMBL17024880 0.72 LMNA (0.52) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL22053931 0.72 LMNA (0.55) LMNATSHRNPSR1MEN1KMT2A

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 LMNA 4773/4885TSHR 3557/4885NPSR1 1010/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC LMNA 4655/4885TSHR 3608/4885NPSR1 1218/4885

“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.