SCHEMBL17949865

SCHEMBL17949865

CC(C)CC(C)C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
SLC7A5 Q01650 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ANPEP P15144 6/20 0.37
DNPEP Q9ULA0 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RNPEP Q9H4A4 3/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
KISS1R Q969F8 3/20 0.35
LAP3 P28838 2/20 0.34

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
SCHEMBL19607556 0.90 HIF1A (0.46) HIF1ASLC7A5CA1CA2L3MBTL1
SCHEMBL23408418 0.81 HIF1A (0.39) HIF1ACA1CA2L3MBTL1ALDH1A1
SCHEMBL8112167 0.80 CA1 (0.47) HIF1ASLC7A5CA1CA2ANPEP
SCHEMBL24983995 0.79 HIF1A (0.42) HIF1ACA1CA2ANPEPDNPEP
SCHEMBL19559844 0.78 SLC7A5 (0.56) HIF1ASLC7A5ANPEPDNPEPRNPEP
SCHEMBL8330499 0.78 SLC7A5 (0.56) HIF1ASLC7A5ANPEPDNPEPRNPEP
SCHEMBL4677717 0.78 SLC7A5 (0.56) HIF1ASLC7A5ANPEPDNPEPRNPEP
Hydrochloric Acid SCHEMBL27471876 0.78 CA1 (0.45) HIF1ASLC7A5CA1CA2ANPEP
SCHEMBL19387754 0.78 CA1 (0.55) HIF1ACA1CA2L3MBTL1ALDH1A1
SCHEMBL14365019 0.77 MMP9 (0.42) SLC7A5RNPEPKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349156-B It can be used as the pyridine -2- amides of CB2 agonist 霍夫曼-拉罗奇有限公司 2018-12-11 CN disclosed
CN-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 CN disclosed
CN-103608332-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2016-09-28 CN disclosed
US-20160215006-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA WASHINGTON STATE UNIVERSITY (US) 2016-07-28 US disclosed
CN-1148346-C Hydrazine derivative - 2004-05-05 CN disclosed
CN-1309634-A Hydrazine derivs. HOFFMANN LA ROCHE (CH) 2001-08-22 CN 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-20160215006-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA PSMA1, PSMA3, PSMA2 HIF1A 511/4885SLC7A5 2393/4885CA1 124/4885

“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.