SCHEMBL870449

SCHEMBL870449

CN1CCCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)CN6CCCCC6)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 4/20 0.43
SIGMAR1 Q99720 1/20 0.38
PDE4B Q07343 5/20 0.38
AXL P30530 2/20 0.37
FLT3 P36888 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
DYRK1A Q13627 4/20 0.36
WNT1 P04628 3/20 0.36
CHKA P35790 2/20 0.36
GSK3B P49841 1/20 0.35
SLC2A1 P11166 1/20 0.35
ADRB2 P07550 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
SCHEMBL870450 1.00 AVPR1B (0.43) AVPR1BSIGMAR1PDE4BAXLFLT3
SCHEMBL870166 0.99 AVPR1B (0.44) AVPR1BSIGMAR1PDE4BAXLFLT3
SCHEMBL870165 0.99 AVPR1B (0.44) AVPR1BSIGMAR1PDE4BAXLFLT3
SCHEMBL870299 0.94 AVPR1B (0.39) AVPR1BPDE4BAXLFLT3TYRO3
SCHEMBL870300 0.94 AVPR1B (0.39) AVPR1BPDE4BAXLFLT3TYRO3
SCHEMBL3030807 0.92 AVPR1B (0.41) AVPR1BPDE4BAXLFLT3TYRO3
SCHEMBL3030814 0.92 AVPR1B (0.41) AVPR1BPDE4BAXLFLT3TYRO3
SCHEMBL3019156 0.92 AVPR1B (0.39) AVPR1BSIGMAR1PDE4BAXLFLT3
SCHEMBL870180 0.92 AVPR1B (0.41) AVPR1BPDE4BDYRK1AWNT1ADRB2
SCHEMBL8170394 0.92 AVPR1B (0.39) AVPR1BSIGMAR1PDE4BAXLFLT3

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 10 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
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
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 AVPR1B 1234/4885SIGMAR1 3813/4885PDE4B 2/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B AVPR1B 1234/4885SIGMAR1 3813/4885PDE4B 2/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A AVPR1B 1852/4885SIGMAR1 4721/4885PDE4B 2/4885

“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.