SCHEMBL30352902

SCHEMBL30352902

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4cccc5cnccc45)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.37
NR2F2 P24468 2/20 0.36
NPC1 O15118 2/20 0.36
GALR3 O60755 2/20 0.35
RAB9A P51151 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
IKBKB O14920 2/20 0.34
CHUK O15111 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE9A O76083 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
SCHEMBL21752728 1.00 HCRTR1 (0.42) HCRTR1HCRTR2GRIN1GRIN2BKMT2A
SCHEMBL30352861 0.92 KMT2A (0.41) HCRTR1HCRTR2KMT2AALOX15SMN1; SMN2
SCHEMBL21752709 0.92 KMT2A (0.41) HCRTR1HCRTR2KMT2AALOX15SMN1; SMN2
SCHEMBL23780128 0.87 TRPV1 (0.36) KMT2AALOX15NR2F2NPC1TRPV1
SCHEMBL31109330 0.87 TRPV1 (0.36) KMT2AALOX15NR2F2NPC1TRPV1
SCHEMBL21765013 0.87 HCRTR1 (0.41) HCRTR1HCRTR2GRIN1GRIN2BKMT2A
SCHEMBL21752594 0.86 KMT2A (0.42) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21752477 0.85 KMT2A (0.43) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21752617 0.85 KMT2A (0.44) KMT2AALOX15NPC1RAB9AIKBKB
SCHEMBL30352925 0.85 KMT2A (0.44) KMT2AALOX15NPC1RAB9AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2026-03-17 US disclosed
EP-3840747-B1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-03-29 EP 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 (1 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-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 HCRTR1 68/4885HCRTR2 73/4885GRIN1 172/4885

“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.