SCHEMBL16256993

SCHEMBL16256993

C[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](C(=O)O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.51
HTR2C P28335 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL28644186 0.91 AGTR2 (0.54) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6880139 0.88 HTR2C (0.46) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL9175852 0.86 AGTR2 (0.53) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL9175859 0.86 AGTR2 (0.53) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6343357 0.85 AGTR2 (0.52) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6285084 0.85 AGTR2 (0.52) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL12480716 0.85 AGTR2 (0.49) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL14763305 0.85 AGTR2 (0.49) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL16256994 0.84 AGTR2 (0.51) AGTR2HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL12480005 0.84 AGTR2 (0.51) AGTR2HTR2CNPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512074-B2 Radiolabeled inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2016-12-06 US disclosed
US-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2015-02-26 US disclosed
US-8895607-B2 Inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2014-11-25 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-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 AGTR2 1021/4885HTR2C 2239/4885NPC1 485/4885

“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.