SCHEMBL2676304

SCHEMBL2676304

O=C(O)c1c(CN2CCN(c3ccc(F)cc3)CC2)n(-c2ccccc2)c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.51
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR1A P08908 1/20 0.46
REV1 Q9UBZ9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL2676011 0.89 DRD2 (0.43) HTR7HTR1ASMN1; SMN2DRD2DRD4
SCHEMBL2676889 0.89 DRD4 (0.51) HTR7ALDH1A1LMNAKDM4EMEN1
SCHEMBL2676725 0.89 HTR3A (0.47) HTR7ALDH1A1LMNAMEN1KMT2A
SCHEMBL2676559 0.88 MEN1 (0.53) HTR7ALDH1A1LMNAKDM4EMEN1
SCHEMBL2676415 0.87 HTR7 (0.45) HTR7HTR1ADRD2DRD3
SCHEMBL2676926 0.86 HTR7 (0.53) HTR7ALDH1A1LMNAMEN1KMT2A
SCHEMBL2675645 0.86 KCNH2 (0.52) HTR7HTR1ADRD2DRD4DRD3
SCHEMBL2675625 0.86 MEN1 (0.44) HTR7ALDH1A1LMNAKDM4EMEN1
SCHEMBL2676503 0.86 MEN1 (0.44) HTR7ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2676084 0.86 HTR7 (0.50) HTR7ALDH1A1KDM4EMEN1KMT2A

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 HTR7 598/4885ALDH1A1 2304/4885LMNA 4207/4885

“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.