SCHEMBL871860

SCHEMBL871860

CN1CCC(n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.48
CNR1 P21554 3/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TNKS O95271 1/20 0.37
CNR2 P34972 3/20 0.37
USP30 Q70CQ3 1/20 0.37
HPGDS O60760 2/20 0.36
MAPK14 Q16539 2/20 0.35
SSTR4 P31391 1/20 0.35
ABL1 P00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DYRK1A Q13627 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL871859 1.00 PDE4B (0.48) PDE4BCNR1GPR55TNKSCNR2
SCHEMBL4104192 0.90 PDE4B (0.60) PDE4BCNR1GPR55TNKSCNR2
SCHEMBL4104197 0.90 PDE4B (0.60) PDE4BCNR1GPR55TNKSCNR2
SCHEMBL4113995 0.85 PDE4B (0.53) PDE4BCNR1GPR55TNKSHPGDS
SCHEMBL870830 0.84 PDE4B (0.45) PDE4BCNR1GPR55CNR2HPGDS
SCHEMBL870831 0.84 PDE4B (0.45) PDE4BCNR1GPR55CNR2HPGDS
SCHEMBL870978 0.84 PDE4B (0.46) PDE4BCNR1GPR55TNKSCNR2
SCHEMBL8170582 0.84 PDE4B (0.46) PDE4BCNR1GPR55TNKSCNR2
SCHEMBL870977 0.84 PDE4B (0.46) PDE4BCNR1GPR55TNKSCNR2
SCHEMBL869972 0.83 TNKS (0.49) PDE4BCNR1GPR55TNKSCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 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 (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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CNR1 2027/4885GPR55 342/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CNR1 2027/4885GPR55 342/4885

“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.