SCHEMBL2675783

SCHEMBL2675783

CC(O)CN1CCN(Cc2c(C(=O)O)c3ccccc3c(=O)n2-c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P4HB P07237 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 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
SCHEMBL2676908 0.92 NPSR1 (0.42) MAPTNPSR1KDM4ETSHRL3MBTL1
SCHEMBL2676276 0.88 ADRA2A (0.50) MAPTNPSR1TSHRL3MBTL1P4HB
SCHEMBL1719001 0.88 TACR2 (0.43) MAPTNPSR1KDM4ETSHRL3MBTL1
SCHEMBL2675780 0.86 ALDH1A1 (0.48) MAPTNPSR1KDM4ETSHRL3MBTL1
SCHEMBL2677324 0.86 MAPT (0.51) MAPTNPSR1KDM4ETSHRL3MBTL1
SCHEMBL2676280 0.86 KMT2A (0.41) MAPTNPSR1KDM4ETSHRL3MBTL1
SCHEMBL2676766 0.85 MCL1 (0.46) MAPTNPSR1KDM4EL3MBTL1MAPK1
SCHEMBL2678243 0.85 KDM4E (0.41) MAPTNPSR1KDM4ETSHRL3MBTL1
SCHEMBL2675569 0.85 ALDH1A1 (0.46) MAPTNPSR1KDM4ETSHRL3MBTL1
SCHEMBL2676392 0.85 MAPK1 (0.45) MAPTNPSR1KDM4ETSHRL3MBTL1

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-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
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 MAPT 3659/4885NPSR1 182/4885KDM4E 3176/4885

“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.