SCHEMBL871887

SCHEMBL871887

N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccn4)c3)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
DHFR P00374 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP2 O75604 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
RIPK2 O43353 1/20 0.33
TNF P01375 7/20 0.32
LITAF Q99732 7/20 0.32
PTGER1 P34995 1/20 0.32
EGFR P00533 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL8187441 1.00 USP30 (0.37) USP30HTR1AHTR7DHFRCYP1A2
SCHEMBL871888 1.00 USP30 (0.37) USP30HTR1AHTR7DHFRCYP1A2
SCHEMBL869967 0.90 CYP1A2 (0.37) CYP1A2CYP3A4ALDH1A1POLBNPSR1
SCHEMBL869968 0.90 CYP1A2 (0.37) CYP1A2CYP3A4ALDH1A1POLBNPSR1
Hydrochloric Acid SCHEMBL870845 0.89 CYP1A2 (0.37) CYP1A2CYP3A4ALDH1A1POLBNPSR1
Hydrochloric Acid SCHEMBL870846 0.89 CYP1A2 (0.37) CYP1A2CYP3A4ALDH1A1POLBNPSR1
SCHEMBL3030781 0.87 PDE4B (0.40) KCNH2PDE4BPDE4D
SCHEMBL3030776 0.87 PDE4B (0.40) KCNH2PDE4BPDE4D
SCHEMBL8170051 0.86 KCNH2 (0.38) USP30DHFRCYP1A2CYP3A4KCNH2
SCHEMBL870246 0.85 RIPK2 (0.35) HTR1AHTR7CYP1A2CYP3A4ALDH1A1

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 11 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-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 USP30 2626/4885HTR1A 1413/4885HTR7 158/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B USP30 2626/4885HTR1A 1413/4885HTR7 158/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A USP30 2351/4885HTR1A 1923/4885HTR7 381/4885

“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.