SCHEMBL871920

SCHEMBL871920

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 2/20 0.39
TNF P01375 4/20 0.36
LITAF Q99732 4/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
MYC P01106 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
ALOX15 P16050 1/20 0.36
NR4A1 P22736 1/20 0.36
PTPN7 P35236 1/20 0.36

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
SCHEMBL871921 1.00 SSTR2 (0.39) SSTR2TNFLITAFPDE4BPDE4D
SCHEMBL869904 0.89 PDE4B (0.41) TNFLITAFPDE4BPDE4DALDH1A1
SCHEMBL872081 0.89 PDE4B (0.41) TNFLITAFPDE4BPDE4DALDH1A1
SCHEMBL869967 0.87 CYP1A2 (0.37) SSTR2TNFLITAFPDE4BPDE4D
SCHEMBL869968 0.87 CYP1A2 (0.37) SSTR2TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL870846 0.86 CYP1A2 (0.37) SSTR2TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL870845 0.86 CYP1A2 (0.37) SSTR2TNFLITAFPDE4BPDE4D
SCHEMBL3805140 0.85 ABCB1 (0.35) TNFLITAFPDE4BPDE4DALDH1A1
SCHEMBL10222006 0.85 ATM (0.45) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL870868 0.85 ATM (0.45) ALDH1A1MEN1KMT2AMAPTPOLB

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 SSTR2 2312/4885TNF 1585/4885LITAF 2742/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B SSTR2 2312/4885TNF 1585/4885LITAF 2742/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A SSTR2 2478/4885TNF 2973/4885LITAF 4447/4885

“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.