SCHEMBL871661

SCHEMBL871661

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCNCC5)cc4)c3)c2=O)CC1)c1cnc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.40
SIRT1 Q96EB6 2/20 0.40
AVPR1B P47901 2/20 0.38
PRKAA2 P54646 4/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT3 Q9NTG7 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
SCHEMBL871660 1.00 PDE4B (0.40) PDE4BSIRT1AVPR1BPRKAA2CYP3A4
SCHEMBL872060 0.94 PDE4B (0.40) PDE4BAVPR1BPRKAA2CYP3A4
SCHEMBL872059 0.94 PDE4B (0.40) PDE4BAVPR1BPRKAA2CYP3A4
SCHEMBL871975 0.91 PDE4B (0.41) PDE4BAVPR1BPRKAA2CYP3A4
SCHEMBL871976 0.91 PDE4B (0.41) PDE4BAVPR1BPRKAA2CYP3A4
SCHEMBL871792 0.91 SIRT1 (0.38) PDE4BSIRT1AVPR1BCYP3A4
SCHEMBL871791 0.91 SIRT1 (0.38) PDE4BSIRT1AVPR1BCYP3A4
SCHEMBL870708 0.91 PDE4B (0.41) PDE4BAVPR1BPRKAA2CYP3A4
SCHEMBL870707 0.91 PDE4B (0.41) PDE4BAVPR1BPRKAA2CYP3A4
SCHEMBL872226 0.90 PDE4B (0.48) PDE4BAVPR1BPRKAA2CYP3A4

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 4 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-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 2/4885SIRT1 552/4885AVPR1B 1234/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885SIRT1 552/4885AVPR1B 1234/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885SIRT1 712/4885AVPR1B 1852/4885

“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.