SCHEMBL2551232

SCHEMBL2551232

C[C@@H](COc1ccncc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
CYP3A4 P08684 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 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
SCHEMBL28934594 0.87 LMNA (0.50) KMT2ANPSR1CYP3A4MTNR1AMTNR1B
SCHEMBL28934593 0.87 LMNA (0.50) KMT2ANPSR1CYP3A4MTNR1AMTNR1B
SCHEMBL2547814 0.84 SLC6A2 (0.42) KMT2AMTNR1AMTNR1BESR1HTR1A
SCHEMBL29168954 0.83 GRM5 (0.34) AAK1
SCHEMBL2557834 0.81 MTNR1A (0.35) KMT2ANPSR1CYP3A4MTNR1AMTNR1B
SCHEMBL19859443 0.78 ALDH1A1 (0.36) KMT2ALMNAALDH1A1
SCHEMBL19859255 0.78 ALDH1A1 (0.36) KMT2ALMNAALDH1A1
SCHEMBL2167541 0.77 PPARG (0.52) MAOBLMNA
SCHEMBL2167172 0.76 ACACB (0.59)
SCHEMBL2771026 0.71 THRB (0.31)

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-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ITGB3 4635/4885ITGA2B 4716/4885MAOB 3507/4885

“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.