SCHEMBL19727201

SCHEMBL19727201

CCOC(=O)c1nccc2c1CCC(CC)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.49
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
THRB P10828 2/20 0.41
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BLM P54132 1/20 0.38
NPC1 O15118 1/20 0.37
ELANE P08246 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL19444353 0.90 LNPEP (0.49) LNPEPMAPTHPGDALDH1A1GAA
SCHEMBL19444240 0.88 LNPEP (0.47) LNPEPMAPTHPGDALDH1A1GAA
SCHEMBL19727202 0.87 LNPEP (0.41) LNPEPMAPTHPGDALDH1A1GAA
SCHEMBL19727157 0.82 LNPEP (0.47) LNPEPBRD4ELANEGABRA1GABRG2
SCHEMBL19444437 0.82 LNPEP (0.49) LNPEPMAPTBRD4GABRA1GABRG2
SCHEMBL19727154 0.82 LNPEP (0.49) LNPEPMAPTBRD4GABRA1GABRG2
SCHEMBL19727155 0.82 LNPEP (0.47) LNPEPBRD4ELANEGABRA1GABRG2
SCHEMBL21467554 0.81 LNPEP (0.41) LNPEPMAPTBRD4
SCHEMBL19733874 0.79 LNPEP (0.38) LNPEPMAPTHPGDBRD4LMNA
SCHEMBL19444355 0.79 BRD4 (0.43) MAPTBRD4ELANEGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005762-B2 Pyridine derivatives ASTELLAS PHARMA INC. (JP) 2018-06-26 US disclosed
US-10005762-B2 Pyridine derivatives ASTELLAS PHARMA INC. (JP) 2018-06-26 US disclosed
US-20170362209-A1 PYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2017-12-21 US disclosed
US-20170362209-A1 PYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2017-12-21 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 (2 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-10005762-B2 Pyridine derivatives LAP3, PREP, DNPEP LNPEP 5/4885MAPT 2615/4885HPGD 74/4885
US-20170362209-A1 PYRIDINE DERIVATIVES LAP3, PREP, DNPEP LNPEP 5/4885MAPT 2615/4885HPGD 74/4885

“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.