SCHEMBL871175

SCHEMBL871175

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(I)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.46
PDE4D Q08499 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGDS O60760 2/20 0.35
CNR1 P21554 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TNKS O95271 1/20 0.34
HTR3A P46098 2/20 0.34
ABCB1 P08183 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL871176 1.00 PDE4B (0.46) PDE4BPDE4DNPC1RAB9AHPGDS
Hydrochloric Acid SCHEMBL3700634 0.99 PDE4B (0.46) PDE4BPDE4DNPC1RAB9AHPGDS
Hydrochloric Acid SCHEMBL3690679 0.99 PDE4B (0.46) PDE4BPDE4DNPC1RAB9AHPGDS
SCHEMBL871166 0.98 PDE4B (0.46) PDE4BPDE4DNPC1RAB9AHPGDS
SCHEMBL871165 0.98 PDE4B (0.46) PDE4BPDE4DNPC1RAB9AHPGDS
Hydrochloric Acid SCHEMBL3696637 0.92 PDE4B (0.41) PDE4BPDE4DHPGDSCNR1GPR55
SCHEMBL870898 0.91 PDE4B (0.47) PDE4BPDE4DNPC1RAB9AHPGDS
SCHEMBL870787 0.91 PDE4B (0.46) PDE4BPDE4DNPC1RAB9AHPGDS
SCHEMBL870899 0.91 PDE4B (0.47) PDE4BPDE4DNPC1RAB9AHPGDS
SCHEMBL870786 0.91 PDE4B (0.46) PDE4BPDE4DNPC1RAB9AHPGDS

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 13 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
WO-2010004319-A1 COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP 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
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO 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 PDE4B 2/4885PDE4D 11/4885NPC1 2462/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 11/4885NPC1 2462/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4D 10/4885NPC1 3510/4885

“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.