SCHEMBL429892

SCHEMBL429892

NC(CCCc1ccccc1Cl)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SLC1A5 Q15758 1/20 0.51
GRIK1 P39086 1/20 0.48
NOS1 P29475 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KIF11 P52732 4/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43

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
SCHEMBL2602021 0.90 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3SLC1A5GRIK1
SCHEMBL30861811 0.90 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3SLC1A5GRIK1
SCHEMBL16147380 0.90 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3SLC1A5GRIK1
SCHEMBL16147379 0.90 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3SLC1A5GRIK1
Hydrochloric Acid SCHEMBL2117928 0.89 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3SLC1A5GRIK1
SCHEMBL27754729 0.87 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3SLC1A5POLB
SCHEMBL27754727 0.87 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3SLC1A5POLB
SCHEMBL27254718 0.83 SLC1A5 (0.48) SLC6A2SLC6A4SLC6A3SLC1A5KIF11
SCHEMBL1702915 0.81 ACLY (0.51)
SCHEMBL7360797 0.81 SLC1A5 (0.55) SLC1A5GRIK1POLBKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883963-B2 Peptidomimetics with glucagon antagonistic and GLP 1 agonistic activities CADILA HEALTHCARE LIMITED (IN) 2014-11-11 US disclosed
EP-2231701-B1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LTD (IN) 2012-04-18 EP disclosed
US-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2012-01-26 US disclosed
EP-2231701-A2 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES Cadila Healthcare Limited (IN) 2010-09-29 EP disclosed
WO-2009125424-A2 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2009-10-15 WO 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-20120021972-A1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP 1 AGONISTIC ACTIVITIES GLP1R, GPR119, GIPR SLC6A2 3962/4885SLC6A4 4070/4885SLC6A3 3730/4885

“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.