SCHEMBL23780238

SCHEMBL23780238

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(c4ccc(C5CC5)cc4)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.36
IDO1 P14902 2/20 0.36
SCD5 Q86SK9 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
UGCG Q16739 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 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
SCHEMBL23780144 0.95 ALDH1A1 (0.40) KMT2AALOX15NPC1SMN1; SMN2ALDH1A1
SCHEMBL23780046 0.95 ALOX15 (0.39) KMT2AALOX15NPC1SMN1; SMN2ALDH1A1
SCHEMBL23780038 0.95 GRM5 (0.39) KMT2AALOX15SMN1; SMN2ALDH1A1KDM4E
SCHEMBL23780129 0.94 SCD5 (0.42) KMT2AALOX15SMN1; SMN2ALDH1A1SCD5
SCHEMBL23780196 0.94 CYP2C19 (0.38) KMT2AALOX15NPC1SMN1; SMN2ALDH1A1
SCHEMBL23780062 0.94 HSD17B10 (0.39) KMT2AALOX15NPC1SMN1; SMN2ALDH1A1
SCHEMBL23780215 0.93 PLA2G1B (0.39) KMT2AALOX15NPC1ALDH1A1IDO1
SCHEMBL23780055 0.92 UGCG (0.37) KMT2AALOX15IDO1TLR9TLR8
SCHEMBL23780041 0.92 SCD5 (0.41) KMT2AALOX15SMN1; SMN2ALDH1A1SCD5
SCHEMBL31109347 0.92 UGCG (0.37) KMT2AALOX15IDO1TLR9TLR8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP claimed
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-09-17 US claimed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 US claimed
EP-3873464-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP claimed
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP disclosed
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-09-17 US disclosed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 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-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 KMT2A 1645/4885ALOX15 435/4885NPC1 1684/4885
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU KMT2A 1419/4885ALOX15 443/4885NPC1 2076/4885

“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.