SCHEMBL24878636

SCHEMBL24878636

COc1cc(F)c(N2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
UGCG Q16739 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TP53 P04637 1/20 0.37
IDO1 P14902 1/20 0.36
CCR1 P32246 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL24878556 0.92 ALOX15 (0.44) ALOX15IDO1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL30129114 0.92 ALOX15 (0.44) ALOX15IDO1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL24878609 0.87 ALOX15 (0.57) ALOX15TP53IDO1SMN1; SMN2THRB
SCHEMBL30129107 0.86 ALOX15 (0.46) ALOX15TP53IDO1ALDH1A1KMT2A
SCHEMBL30129098 0.86 TSHR (0.45) ALOX15TP53IDO1CCR1SMN1; SMN2
SCHEMBL24878648 0.86 ALOX15 (0.46) ALOX15TP53IDO1ALDH1A1KMT2A
SCHEMBL24878427 0.86 TSHR (0.45) ALOX15TP53IDO1CCR1SMN1; SMN2
SCHEMBL24878600 0.85 ALOX15 (0.44) ALOX15TP53IDO1SMN1; SMN2ALDH1A1
SCHEMBL24878419 0.85 ALOX15 (0.44) ALOX15UGCGCCR1MAPK1KMT2A
SCHEMBL30129213 0.85 ALOX15 (0.44) ALOX15TP53IDO1SMN1; SMN2ALDH1A1

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 4 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
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

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 ALOX15 633/4885UGCG 2303/4885FFAR4 3346/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ALOX15 859/4885UGCG 2067/4885FFAR4 3533/4885

“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.