SCHEMBL870179

SCHEMBL870179

CC(C)N1CCN(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 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.41
VCP P55072 2/20 0.40
ACVR1 Q04771 1/20 0.38
PDE4B Q07343 5/20 0.37
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
NPY5R Q15761 1/20 0.36
TACR2 P21452 1/20 0.35
TACR3 P29371 1/20 0.35
OPRM1 P35372 1/20 0.35
ADRB2 P07550 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL870180 1.00 AVPR1B (0.41) AVPR1BVCPACVR1PDE4BWNT1
SCHEMBL870449 0.92 AVPR1B (0.43) AVPR1BPDE4BWNT1DYRK1AADRB2
SCHEMBL870450 0.92 AVPR1B (0.43) AVPR1BPDE4BWNT1DYRK1AADRB2
SCHEMBL3029088 0.91 ACVR1 (0.40) AVPR1BVCPACVR1PDE4BTACR2
SCHEMBL871946 0.91 ACVR1 (0.40) AVPR1BVCPACVR1PDE4B
SCHEMBL3029083 0.91 ACVR1 (0.40) AVPR1BVCPACVR1PDE4BTACR2
SCHEMBL871947 0.91 ACVR1 (0.40) AVPR1BVCPACVR1PDE4B
SCHEMBL870166 0.91 AVPR1B (0.44) AVPR1BPDE4BWNT1DYRK1AADRB2
SCHEMBL870165 0.91 AVPR1B (0.44) AVPR1BPDE4BWNT1DYRK1AADRB2
SCHEMBL871755 0.90 ACVR1 (0.40) AVPR1BVCPACVR1PDE4BTACR2

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
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-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 1234/4885VCP 3873/4885ACVR1 1110/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B AVPR1B 1234/4885VCP 3873/4885ACVR1 1110/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A AVPR1B 1852/4885VCP 3739/4885ACVR1 551/4885

“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.