SCHEMBL3029957

SCHEMBL3029957

O=C(O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCN(C6CCCC6)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.43
AVPR1B P47901 2/20 0.40
ADRB2 P07550 1/20 0.38
PRKAA2 P54646 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ACKR3 P25106 3/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL3029961 1.00 PDE4B (0.43) PDE4BAVPR1BADRB2PRKAA2KDM4E
SCHEMBL3023140 0.94 PDE4B (0.47) PDE4BAVPR1BADRB2PRKAA2ACKR3
SCHEMBL3030814 0.91 AVPR1B (0.41) PDE4BAVPR1BADRB2
SCHEMBL3030807 0.91 AVPR1B (0.41) PDE4BAVPR1BADRB2
SCHEMBL871179 0.91 PDE4B (0.46) PDE4BPRKAA2ACKR3CNR2
SCHEMBL871178 0.91 PDE4B (0.46) PDE4BPRKAA2ACKR3CNR2
SCHEMBL3029083 0.90 ACVR1 (0.40) PDE4BAVPR1BADRB2PRKAA2DRD2
SCHEMBL3029088 0.90 ACVR1 (0.40) PDE4BAVPR1BADRB2PRKAA2DRD2
SCHEMBL869865 0.90 PDE4B (0.47) PDE4BPRKAA2ACKR3CNR2
SCHEMBL869866 0.90 PDE4B (0.47) PDE4BPRKAA2ACKR3CNR2

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-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 (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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885AVPR1B 1234/4885ADRB2 105/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885AVPR1B 1852/4885ADRB2 417/4885

“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.