SCHEMBL870840

SCHEMBL870840

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(OCCN5CCCC5)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.46
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
AVPR1B P47901 2/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
HTR7 P34969 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL870839 1.00 PDE4B (0.46) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13853377 0.96 PDE4B (0.46) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3026777 0.94 PDE4B (0.41) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL870519 0.93 PDE4B (0.48) PDE4BCNR1CNR2
SCHEMBL870520 0.93 PDE4B (0.48) PDE4BCNR1CNR2
SCHEMBL870615 0.92 PDE4B (0.49) PDE4BCNR1CNR2
SCHEMBL870616 0.92 PDE4B (0.49) PDE4BCNR1CNR2
SCHEMBL871346 0.92 PDE4B (0.47) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL871347 0.92 PDE4B (0.47) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL871798 0.91 PDE4B (0.47) PDE4BCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US claimed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US claimed
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-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 2/4885BMPR1B 2391/4885BMPR1A 2671/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885BMPR1B 2391/4885BMPR1A 2671/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885BMPR1B 1909/4885BMPR1A 2221/4885

“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.