SCHEMBL15316308

SCHEMBL15316308

C=C1CC[C@@H](C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
NTSR1 P30989 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
STS P08842 1/20 0.44
ENPP2 Q13822 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 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
SCHEMBL15107116 1.00 HTT (0.49) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10078806 0.90 SMN1; SMN2 (0.50) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10058223 0.90 SMN1; SMN2 (0.50) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15107844 0.84 SMN1; SMN2 (0.51) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13779754 0.84 SMN1; SMN2 (0.51) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3671572 0.83 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3671569 0.83 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL951538 0.79 KMT2A (0.59) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3666535 0.79 KMT2A (0.52) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14497215 0.79 SMN1; SMN2 (0.61) HTTSMN1; SMN2NPC1RAB9AMEN1

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-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 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-20130274475-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, XDH HTT 4851/4885SMN1; SMN2 3308/4885NPC1 2510/4885

“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.