SCHEMBL23583243

SCHEMBL23583243

CN1CCC(C(=O)N[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.63
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
EPHX2 P34913 4/20 0.52
GAA P10253 1/20 0.46
EPHX1 P07099 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL24423522 1.00 MAPK1 (0.63) MAPK1ALDH1A1NPC1RAB9AEPHX2
SCHEMBL13783322 0.93 MAPK1 (0.53) MAPK1ALDH1A1NPC1RAB9AEPHX2
SCHEMBL20159607 0.89 L3MBTL1 (0.51) MAPK1ALDH1A1NPC1RAB9AEPHX2
SCHEMBL24424685 0.86 EPHX2 (0.48) MAPK1ALDH1A1NPC1RAB9AEPHX2
SCHEMBL13746318 0.85 GAA (0.61) MAPK1ALDH1A1EPHX2GAAL3MBTL1
SCHEMBL10265288 0.85 POLB (0.53) MAPK1ALDH1A1RAB9AEPHX2GAA
SCHEMBL7159674 0.85 MAPK1 (0.60) MAPK1ALDH1A1NPC1RAB9AEPHX2
SCHEMBL7159673 0.85 MAPK1 (0.60) MAPK1ALDH1A1NPC1RAB9AEPHX2
SCHEMBL517408 0.85 MAPK1 (0.60) MAPK1ALDH1A1NPC1RAB9AEPHX2
SCHEMBL14985440 0.85 MAPK1 (0.60) MAPK1ALDH1A1NPC1RAB9AEPHX2

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-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 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-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 MAPK1 383/4885ALDH1A1 2000/4885NPC1 1452/4885

“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.