SCHEMBL4200635

SCHEMBL4200635

Cc1ccc(OCCO)c(C(=O)NC2CCC(NC(=O)c3cccnc3OC3CCSCC3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
CNR1 P21554 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
TYK2 P29597 6/20 0.39
KDM5A P29375 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ROCK2 O75116 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL6323279 0.93 CNR2 (0.44) CNR2CNR1L3MBTL1TYK2KDM5A
SCHEMBL13929017 0.86 PDE4B (0.50) CNR2CNR1ALDH1A1PDE4B
SCHEMBL13929020 0.85 KDM5A (0.43) CNR2TYK2KDM5AALDH1A1PDE4B
SCHEMBL4184529 0.85 KDM5A (0.43) CNR2TYK2KDM5AALDH1A1PDE4B
SCHEMBL13929028 0.80 L3MBTL1 (0.53) CNR2CNR1L3MBTL1ALDH1A1
SCHEMBL4200607 0.80 L3MBTL1 (0.53) CNR2CNR1L3MBTL1ALDH1A1
SCHEMBL4191409 0.80 PDE4B (0.50) CNR2CNR1PDE4B
SCHEMBL4185131 0.79 PDE4B (0.41) CNR2CNR1TYK2ALDH1A1PDE4B
SCHEMBL8299116 0.78 CNR2 (0.48) CNR2CNR1L3MBTL1TYK2ALDH1A1
SCHEMBL4189964 0.78 KDM5A (0.41) CNR2CNR1TYK2KDM5AALDH1A1

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
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US claimed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050020611-A1 Compounds NQO1, NAMPT, NNT CNR2 571/4885CNR1 529/4885L3MBTL1 4529/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT CNR2 571/4885CNR1 529/4885L3MBTL1 4529/4885

“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.