SCHEMBL2674644

SCHEMBL2674644

O=C(O)c1c(CN2CC3CCC(CC3)C2)n(-c2ccccc2)c(=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.38
PGR P06401 2/20 0.38
KDM4E B2RXH2 4/20 0.37
FOLH1 Q04609 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL2677796 0.85 SMN1; SMN2 (0.46) MAPK1NPSR1L3MBTL1KMT2AKDM4E
SCHEMBL2675209 0.85 ALDH1A1 (0.40) MAPK1NPSR1L3MBTL1KMT2AKDM4E
SCHEMBL2677389 0.85 SMN1; SMN2 (0.46) MAPK1NPSR1L3MBTL1KMT2AKDM4E
SCHEMBL2675206 0.85 ALDH1A1 (0.40) MAPK1NPSR1L3MBTL1KMT2AKDM4E
SCHEMBL2675689 0.85 NPSR1 (0.39) MAPK1NPSR1L3MBTL1HTR3EHTR3B
SCHEMBL2676863 0.85 ALDH1A1 (0.40) MAPK1NPSR1L3MBTL1KMT2AKDM4E
SCHEMBL2677338 0.84 USP14 (0.41) MAPK1NPSR1L3MBTL1KMT2AMEN1
SCHEMBL2676392 0.84 MAPK1 (0.45) MAPK1NPSR1L3MBTL1KMT2ARECQL
SCHEMBL2675569 0.84 ALDH1A1 (0.46) MAPK1NPSR1L3MBTL1KMT2AKDM4E
SCHEMBL2676135 0.84 MAPK1 (0.45) MAPK1NPSR1L3MBTL1KMT2ARECQL

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 8 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
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US claimed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO 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 MAPK1 2750/4885NPSR1 182/4885L3MBTL1 4591/4885

“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.