SCHEMBL23959703

SCHEMBL23959703

C[C@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4ccccc4F)CC3)c3c2CCC3)CCO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
PIK3CD O00329 2/20 0.38
PIK3R2 O00459 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3R5 Q8WYR1 2/20 0.38
PIK3R3 Q92569 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPA1 O75762 1/20 0.37
GRIN2B Q13224 1/20 0.37
CNR1 P21554 2/20 0.35
IDO1 P14902 1/20 0.35
FKBP1A P62942 1/20 0.35
UGCG Q16739 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
SCHEMBL21752684 0.93 ALOX15 (0.43) ALOX15HPGDKMT2AMEN1NPC1
SCHEMBL23959622 0.89 ALOX15 (0.39) ALOX15PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL23959594 0.89 KMT2A (0.43) ALOX15PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL23959602 0.87 KMT2A (0.40) ALOX15PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL23959578 0.86 MLNR (0.43) ALOX15PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21752480 0.86 KMT2A (0.41) ALOX15HPGDKMT2ANPC1RAB9A
SCHEMBL21752680 0.85 KMT2A (0.40) ALOX15HPGDKMT2ANPC1RAB9A
SCHEMBL21752554 0.85 KMT2A (0.41) ALOX15KMT2AGRIN2BUGCG
SCHEMBL23959556 0.85 KMT2A (0.44) ALOX15PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21752477 0.85 KMT2A (0.43) ALOX15KMT2ANPC1RAB9AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 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 (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-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU ALOX15 525/4885PIK3CD 1908/4885PIK3R2 3025/4885

“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.