SCHEMBL22533722

SCHEMBL22533722

CCOP(=O)(OCC)c1ccc(Cn2ncc3c(OC)nccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.37
▸ PDE1A P54750 3/20 0.35
▸ PDE1B Q01064 3/20 0.35
▸ PDE1C Q14123 3/20 0.35
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ NPBWR1 P48145 3/20 0.33
▸ LMNA P02545 3/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PKLR P30613 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ UCHL1 P09936 1/20 0.31
▸ PDE4D Q08499 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
SCHEMBL30066981 1.00 ACACB (0.37) ACACBPDE1APDE1BPDE1CCNR1
SCHEMBL22533992 0.85 ACACB (0.41) ACACBPDE1APDE1BPDE1CCNR1
SCHEMBL28717004 0.81 CCNT1 (0.39) PDE1APDE1BPDE1CCNR1CNR2
SCHEMBL22547791 0.79 ACACB (0.37) ACACBPDE1APDE1BPDE1CCNR1
SCHEMBL22533471 0.76 ACACB (0.40) ACACBPDE1APDE1BPDE1CCNR1
SCHEMBL29424700 0.76 ACACB (0.40) ACACBPDE1APDE1BPDE1CCNR1
SCHEMBL27442082 0.76 ACACB (0.40) ACACBPDE1APDE1BPDE1CCNR1
SCHEMBL28723176 0.75 ACACB (0.40) ACACBPDE1APDE1BPDE1CCNR1
SCHEMBL22533809 0.69 MAPT (0.34) ACACBLMNAALDH1A1MAPTCYP17A1
SCHEMBL29424809 0.69 MAPT (0.34) ACACBLMNAALDH1A1MAPTCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 — — EP disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 — — EP disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — 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 (1 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-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 ACACB 548/4885PDE1A 19/4885PDE1B 28/4885

“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.

Send feedback