SCHEMBL2675283

SCHEMBL2675283

Cc1ccc(C2CN(Cc3c(C(=O)O)c4ccccc4c(=O)n3-c3ccccc3)CCN2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
HTR7 P34969 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
ADRB1 P08588 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE5A O76074 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
P4HB P07237 1/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.32
AGTR1 P30556 1/20 0.32

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
SCHEMBL2676367 0.91 MEN1 (0.37) RENHTR7KMT2AGAANPSR1
SCHEMBL1723788 0.85 TACR3 (0.43) KMT2ANPSR1TSHRMEN1
SCHEMBL2676871 0.85 REN (0.46) RENNPSR1TSHRADRB1L3MBTL1
SCHEMBL2676873 0.85 REN (0.46) RENNPSR1TSHRADRB1L3MBTL1
SCHEMBL2677142 0.85 REN (0.46) RENNPSR1TSHRADRB1L3MBTL1
SCHEMBL2675992 0.85 SMN1; SMN2 (0.37) RENHTR7KMT2AGAANPSR1
SCHEMBL2676671 0.82 REN (0.40) RENNPSR1TSHRMAPTADRB1
SCHEMBL2675559 0.79 REN (0.45) RENNPSR1TSHRL3MBTL1
SCHEMBL1717647 0.78 TACR3 (0.42)
SCHEMBL2676863 0.76 ALDH1A1 (0.40) KMT2ANPSR1TSHRMEN1L3MBTL1

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 REN 759/4885HTR7 598/4885KMT2A 1850/4885

“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.