SCHEMBL21726752

SCHEMBL21726752

C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H]1CC12CCN(OC(=O)c1ccccc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
TSHR P16473 2/20 0.36
HRH3 Q9Y5N1 3/20 0.35
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.32
HSP90AB1 P08238 1/20 0.31
GAA P10253 1/20 0.31
SLC18A3 Q16572 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL21726749 1.00 KMT2A (0.36) KMT2ATSHRHRH3NPSR1NPC1
SCHEMBL21726750 1.00 KMT2A (0.36) KMT2ATSHRHRH3NPSR1NPC1
SCHEMBL18838281 0.83 HRH3 (0.38) KMT2AHRH3MEN1GAA
SCHEMBL18838305 0.83 HRH3 (0.38) KMT2AHRH3MEN1GAA
SCHEMBL18838258 0.83 HRH3 (0.38) KMT2AHRH3MEN1GAA
SCHEMBL18838289 0.83 HRH3 (0.38) KMT2AHRH3MEN1GAA
SCHEMBL18838263 0.83 HRH3 (0.38) KMT2AHRH3MEN1GAA
SCHEMBL18838309 0.83 HRH3 (0.38) KMT2AHRH3MEN1GAA
SCHEMBL18860317 0.78 KDM1A (0.44) KMT2ANPSR1NPC1MEN1
SCHEMBL18860224 0.78 KDM1A (0.44) KMT2ANPSR1NPC1MEN1

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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H KMT2A 2232/4885TSHR 2701/4885HRH3 1744/4885

“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.