SCHEMBL2677338

SCHEMBL2677338

O=C(O)c1c(CN2CCC(O)CC2)n(-c2ccccc2)c(=O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP14 P54578 4/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL2676863 0.93 ALDH1A1 (0.40) USP14MAPK1NPSR1L3MBTL1MEN1
SCHEMBL2675206 0.93 ALDH1A1 (0.40) USP14MAPK1NPSR1L3MBTL1MEN1
SCHEMBL2675209 0.93 ALDH1A1 (0.40) USP14MAPK1NPSR1L3MBTL1MEN1
SCHEMBL2676260 0.89 ACHE (0.45) MAPK1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL3632718 0.89 CHRM2 (0.39) USP14MEN1KMT2ANPC1RAB9A
SCHEMBL2676543 0.88 NPSR1 (0.39) MAPK1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL2676251 0.88 DRD4 (0.44) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL2676392 0.88 MAPK1 (0.45) MAPK1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL2675569 0.88 ALDH1A1 (0.46) MAPK1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL2677517 0.86 ALDH1A1 (0.47) USP14MAPK1NPSR1L3MBTL1MEN1

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
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US claimed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 USP14 4363/4885MAPK1 2750/4885NPSR1 182/4885

“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.