SCHEMBL21823748

SCHEMBL21823748

CCCOc1cccnc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
GRM5 P41594 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
PDE5A O76074 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MCHR1 Q99705 1/20 0.41
APLNR P35414 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL27634546 0.89 GRM5 (0.48) CHRNB4CHRNA3GRM5SLC6A2SLC6A4
SCHEMBL30196047 0.85 SMN1; SMN2 (0.43) CHRNB4CHRNA3GRM5SLC6A2SLC6A4
SCHEMBL2700104 0.85 CHRNB4 (0.51) CHRNB4CHRNA3GRM5SLC6A2SLC6A4
SCHEMBL8241387 0.84 CHRNB4 (0.50) CHRNB4CHRNA3SLC6A2SLC6A4NPC1
SCHEMBL4318642 0.84 CHRNB4 (0.48) CHRNB4CHRNA3SLC6A2SLC6A4PDE5A
SCHEMBL63365 0.80 CHRNB4 (0.49) CHRNB4CHRNA3GRM5SLC6A2SLC6A4
SCHEMBL29612256 0.80 CHRNB4 (0.49) CHRNB4CHRNA3GRM5SLC6A2SLC6A4
SCHEMBL5712881 0.79 CYP2C19 (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL19227641 0.79 CHRNB4 (0.50) CHRNB4CHRNA3SLC6A2SLC6A4NPC1
SCHEMBL12893078 0.79 CHRNB2 (0.47) GRM5PDE5APDE4APDE4BPDE4C

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 CN disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 EP disclosed
CN-113166177-A Boron-containing PDE4 inhibitors 辉瑞公司 2021-07-23 CN disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
WO-2020070651-A1 BORON CONTAINING PDE4 INHIBITORS PFIZER INC. (US) 2020-04-09 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 (5 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B CHRNB4 175/4885CHRNA3 1763/4885GRM5 3131/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B CHRNB4 355/4885CHRNA3 1850/4885GRM5 2948/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B CHRNB4 355/4885CHRNA3 1850/4885GRM5 2948/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B CHRNB4 355/4885CHRNA3 1850/4885GRM5 2948/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 CHRNB4 63/4885CHRNA3 372/4885GRM5 2929/4885

“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.