SCHEMBL871946

SCHEMBL871946

CC(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCN(C(C)C)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.40
PDE4B Q07343 7/20 0.38
MCHR1 Q99705 3/20 0.38
CHRM1 P11229 2/20 0.38
HTR2A P28223 2/20 0.38
CYP2D6 P10635 2/20 0.38
VCP P55072 1/20 0.37
CNR2 P34972 2/20 0.36
HDAC1 Q13547 1/20 0.36
PIK3CA P42336 1/20 0.35
ACKR3 P25106 1/20 0.35
AVPR1B P47901 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 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
SCHEMBL871947 1.00 ACVR1 (0.40) ACVR1PDE4BMCHR1CHRM1HTR2A
SCHEMBL3029083 0.95 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL3029088 0.95 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL871756 0.94 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL871755 0.94 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL870990 0.93 ACKR3 (0.41) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL3016547 0.92 ACKR3 (0.41) ACVR1PDE4BVCPHDAC1ACKR3
SCHEMBL870893 0.91 PDE4B (0.41) ACVR1PDE4BCNR2HDAC1ACKR3
SCHEMBL870892 0.91 PDE4B (0.41) ACVR1PDE4BCNR2HDAC1ACKR3
SCHEMBL871760 0.91 ACVR1 (0.38) ACVR1PDE4BVCPCNR2HDAC1

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 ACVR1 1110/4885PDE4B 2/4885MCHR1 3165/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ACVR1 1110/4885PDE4B 2/4885MCHR1 3165/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A ACVR1 551/4885PDE4B 2/4885MCHR1 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.