SCHEMBL30129336

SCHEMBL30129336

COc1cc(F)cc(N2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
ADAMTS4 O75173 4/20 0.41
ADAMTS5 Q9UNA0 4/20 0.41
MAPK1 P28482 1/20 0.40
CCR1 P32246 7/20 0.40
LMNA P02545 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL24877816 1.00 ALOX15 (0.46) ALOX15ADAMTS4ADAMTS5MAPK1CCR1
SCHEMBL30129118 0.90 ALOX15 (0.39) ALOX15CCR1LMNAFFAR4ALDH1A1
SCHEMBL24878004 0.90 ALOX15 (0.39) ALOX15CCR1LMNAFFAR4ALDH1A1
SCHEMBL24878419 0.89 ALOX15 (0.44) ALOX15MAPK1CCR1KMT2A
SCHEMBL24877814 0.89 CCR1 (0.48) ALOX15ADAMTS5CCR1LMNAALDH1A1
SCHEMBL24877929 0.88 LMNA (0.45) ALOX15MAPK1CCR1LMNAALDH1A1
SCHEMBL24878546 0.85 ALOX15 (0.41) ALOX15ADAMTS5CCR1LMNATSHR
SCHEMBL24878106 0.85 CCR1 (0.48) ALOX15CCR1
SCHEMBL24878548 0.85 ALOX15 (0.47) ALOX15CCR1LMNATSHRSMN1; SMN2
SCHEMBL30128852 0.85 CCR1 (0.48) ALOX15CCR1

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 3 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

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 633/4885ADAMTS4 1808/4885ADAMTS5 945/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ALOX15 859/4885ADAMTS4 1866/4885ADAMTS5 897/4885

“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.