SCHEMBL2265641

SCHEMBL2265641

Cc1ccc2c(n1)[nH]c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.55
PDE3A Q14432 9/20 0.55
PDE2A O00408 7/20 0.55
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.40
APAF1 O14727 1/20 0.40
CASP6 P55212 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA2B P29275 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ADORA1 P30542 1/20 0.40
P2RY12 Q9H244 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL30635504 0.82 KDM4E (0.45) PDE3BPDE3APDE2AKDM4EKMT2A
SCHEMBL11435434 0.80 PDE3B (0.53) PDE3BPDE3APDE2ALMNARXFP1
SCHEMBL23097107 0.77 PDE3B (0.50) PDE3BPDE3APDE2ALMNARXFP1
SCHEMBL4529800 0.77 PDE3B (0.50) PDE3BPDE3APDE2ALMNARXFP1
SCHEMBL13194526 0.77 PDE3B (0.55) PDE3BPDE3APDE2ALMNAKDM4E
SCHEMBL28554737 0.76 KMT2A (0.40) PDE3BPDE3APDE2AKDM4EKMT2A
SCHEMBL20772444 0.75 PDE3A (0.55) PDE3BPDE3APDE2ALMNAKDM4E
SCHEMBL30832838 0.75 PDE3A (0.55) PDE3BPDE3APDE2ALMNAKDM4E
SCHEMBL19152949 0.74 RXFP1 (0.47) PDE3BPDE3APDE2ALMNAAPAF1
SCHEMBL10757829 0.71 PDE3B (1.00) PDE3BPDE3APDE2AP2RY12

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
WO-2012136492-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-10-11 WO disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH PDE3B 829/4885PDE3A 649/4885PDE2A 890/4885

“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.