SCHEMBL4086740

SCHEMBL4086740

CCCCCn1ncc(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.49
SLC9A1 P19634 4/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PGR P06401 1/20 0.44
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
MPO P05164 1/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13763657 0.82 ALDH1A1 (0.46) SLC9A1PDE4APDE4BPDE4CPDE4D
SCHEMBL30727478 0.80 MEN1 (0.46) LMNAPOLBKDM4EMAPT
SCHEMBL861732 0.78 CYP1A2 (0.57) SLC9A1ALDH1A1POLB
SCHEMBL20083775 0.76 CYP1A2 (0.55) CNR2SLC9A1POLB
SCHEMBL29117331 0.76 CYP1A2 (0.55) CNR2SLC9A1POLB
SCHEMBL309237 0.76 TLR8 (0.50) SLC9A1
SCHEMBL309493 0.76 GRM2 (0.51) CNR2SLC9A1MPOCNR1PKM
SCHEMBL11759940 0.76 NPC1 (0.58) CNR2FAAHMGLLALDH1A1SMN1; SMN2
SCHEMBL13885733 0.75 CNR2 (0.51) CNR2SLC9A1PDE4APDE4BPDE4C
SCHEMBL476964 0.74 CNR1 (0.46) CNR2SLC9A1ALDH1A1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 WO disclosed
US-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2002-01-17 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-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor PDE3A, PDE5A, PDE3B CNR2 2277/4885SLC9A1 389/4885PDE4A 4/4885

“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.