SCHEMBL24018262

SCHEMBL24018262

C[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1C2CCC[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
KCNH2 Q12809 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
XDH P47989 1/20 0.44
PRSS1 P07477 2/20 0.44
CTSG P08311 2/20 0.44
CTRB1 P17538 2/20 0.44
CMA1 P23946 2/20 0.44
MAP4K4 O95819 2/20 0.44
MINK1 Q8N4C8 2/20 0.44
TNIK Q9UKE5 2/20 0.44
EGLN1 Q9GZT9 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL24018384 0.85 IDO1 (0.59) IDO1KCNH2MEN1KMT2ANPC1
SCHEMBL24018056 0.85 IDO1 (0.59) IDO1KCNH2MEN1KMT2ANPC1
SCHEMBL12783210 0.79 MEN1 (0.67) MEN1KMT2ANPC1RAB9AXDH
SCHEMBL16616771 0.78 EGLN1 (0.53) IDO1KCNH2MEN1KMT2ANPC1
SCHEMBL24018349 0.74 IDO1 (0.61) IDO1KCNH2MEN1KMT2AEGLN1
SCHEMBL13753432 0.73 MEN1 (0.63) MEN1KMT2ANPC1RAB9AXDH
SCHEMBL21210731 0.71 MEN1 (0.73) MEN1KMT2ANPC1RAB9AXDH
SCHEMBL20910233 0.70 EGLN1 (0.50) MEN1KMT2APRSS1CTSGCTRB1
SCHEMBL24568378 0.70 MEN1 (0.58) MEN1KMT2ANPC1RAB9AXDH
SCHEMBL28182531 0.69 NPC1 (0.97) KMT2ANPC1RAB9AEGLN1ALDH1A1

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-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 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-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 IDO1 4/4885KCNH2 2183/4885MEN1 2318/4885

“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.