SCHEMBL870855

SCHEMBL870855

CN(C)C1(C(=O)N[C@H]2CC[C@@H](n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(CN6CCN(C7CCCC7)CC6)cc5)c4)c3=O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.40
CNR2 P34972 2/20 0.35
MCHR1 Q99705 2/20 0.35
AVPR1B P47901 2/20 0.34
CYP3A4 P08684 1/20 0.34
ACKR3 P25106 2/20 0.34
ADRB2 P07550 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
SCHEMBL3030799 1.00 PDE4B (0.40) PDE4BCNR2MCHR1AVPR1BCYP3A4
SCHEMBL3029859 0.94 PDE4B (0.39) PDE4BCNR2MCHR1AVPR1BCYP3A4
SCHEMBL871058 0.94 PDE4B (0.39) PDE4BCNR2MCHR1AVPR1BCYP3A4
SCHEMBL3023064 0.94 PDE4B (0.37) PDE4BCNR2MCHR1AVPR1BCYP3A4
SCHEMBL870468 0.94 PDE4B (0.37) PDE4BCNR2MCHR1AVPR1BCYP3A4
SCHEMBL3026679 0.92 PDE4B (0.37) PDE4BCNR2AVPR1BCYP3A4ACKR3
SCHEMBL871091 0.92 PDE4B (0.37) PDE4BCNR2AVPR1BCYP3A4ACKR3
SCHEMBL4235029 0.92 PDE4B (0.37) PDE4BCNR2AVPR1BCYP3A4ACKR3
SCHEMBL871970 0.92 PDE4B (0.37) PDE4BCNR2AVPR1BCYP3A4ACKR3
SCHEMBL3023086 0.92 ACVR1 (0.38) PDE4BCNR2AVPR1BCYP3A4

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 8 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
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 2/4885CNR2 2229/4885MCHR1 3165/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CNR2 2229/4885MCHR1 3165/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CNR2 3682/4885MCHR1 4069/4885

“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.