SCHEMBL978535

SCHEMBL978535

CC1OCCN[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.47
ARG1 P05089 6/20 0.46
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ARG2 P78540 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17740138 1.00 SLC1A2 (0.47) SLC1A2ARG1MEN1BLMKMT2A
SCHEMBL17740136 1.00 SLC1A2 (0.47) SLC1A2ARG1MEN1BLMKMT2A
SCHEMBL15571615 1.00 SLC1A2 (0.47) SLC1A2ARG1MEN1BLMKMT2A
SCHEMBL2032498 1.00 SLC1A2 (0.47) SLC1A2ARG1MEN1BLMKMT2A
SCHEMBL2071540 1.00 SLC1A2 (0.47) SLC1A2ARG1MEN1BLMKMT2A
SCHEMBL3939453 0.82 SLC1A2 (0.36) SLC1A2ARG1MEN1BLMKMT2A
SCHEMBL27638808 0.79 ARG1 (0.33) SLC1A2ARG1
SCHEMBL28142406 0.79 ARG1 (0.33) SLC1A2ARG1
SCHEMBL7989737 0.78
SCHEMBL7993099 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
EP-2271346-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP 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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR SLC1A2 420/4885ARG1 1406/4885MEN1 434/4885

“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.