SCHEMBL870898

SCHEMBL870898

O=C(O)c1cccc(-n2c(=O)n([C@H]3CC[C@@H](NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.47
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGDS O60760 4/20 0.37
PDE4D Q08499 2/20 0.36
TNKS O95271 1/20 0.35
CNR1 P21554 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
DCK P27707 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
HTR3A P46098 2/20 0.33

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
SCHEMBL870899 1.00 PDE4B (0.47) PDE4BNPC1RAB9AHPGDSPDE4D
SCHEMBL13853378 0.94 PDE4B (0.42) PDE4BNPC1RAB9AHPGDSPDE4D
SCHEMBL870397 0.93 PDE4B (0.45) PDE4BHPGDSPDE4DDCK
SCHEMBL870398 0.93 PDE4B (0.45) PDE4BHPGDSPDE4DDCK
SCHEMBL870427 0.92 PDE4B (0.44) PDE4BNPC1RAB9AHPGDSPDE4D
SCHEMBL870428 0.92 PDE4B (0.44) PDE4BNPC1RAB9AHPGDSPDE4D
SCHEMBL871133 0.92 NPC1 (0.49) PDE4BNPC1RAB9AHPGDSPDE4D
SCHEMBL871132 0.92 NPC1 (0.49) PDE4BNPC1RAB9AHPGDSPDE4D
SCHEMBL871166 0.92 PDE4B (0.46) PDE4BNPC1RAB9AHPGDSPDE4D
SCHEMBL871165 0.92 PDE4B (0.46) PDE4BNPC1RAB9AHPGDSPDE4D

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 7 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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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 (3 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 2/4885NPC1 2462/4885RAB9A 1736/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885NPC1 2462/4885RAB9A 1736/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885NPC1 3510/4885RAB9A 1730/4885

“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.