SCHEMBL15401989

SCHEMBL15401989

Cn1cc(N)c(C(=O)NCCO)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PDE10A Q9Y233 1/20 0.41
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.36
RAB9A P51151 1/20 0.36
SCN9A Q15858 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL17966581 0.86 L3MBTL1 (0.42) L3MBTL1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL17966487 0.84 SMN1; SMN2 (0.40) L3MBTL1KDM4ESMN1; SMN2PDE10ALMNA
SCHEMBL17966595 0.84 GAA (0.41) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL15401987 0.83 TP53 (0.42) L3MBTL1KDM4EALDH1A1HSD17B10TP53
SCHEMBL17966530 0.82 KDM4E (0.43) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL16065089 0.81 ALOX15 (0.40) L3MBTL1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL17966566 0.81 HDAC3 (0.42) L3MBTL1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL17966507 0.81 HDAC3 (0.42) L3MBTL1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL15402379 0.80 PDE10A (0.44) L3MBTL1KDM4EALDH1A1SMN1; SMN2PDE10A
SCHEMBL17966494 0.79 SMN1; SMN2 (0.42) L3MBTL1ALDH1A1SMN1; SMN2LMNARAB9A

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
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A L3MBTL1 3429/4885KDM4E 2322/4885ALDH1A1 271/4885

“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.