SCHEMBL29953884

SCHEMBL29953884

Nc1cc(C2(O)CCOCC2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.38
NOS3 P29474 4/20 0.36
NOS2 P35228 4/20 0.36
NOS1 P29475 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 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
SCHEMBL22726855 1.00 OGA (0.38) OGANOS3NOS2NOS1KDM4E
SCHEMBL27452881 0.90 OGA (0.39) OGANOS3NOS2NOS1KDM4E
SCHEMBL29954005 0.90 OGA (0.39) OGANOS3NOS2NOS1KDM4E
SCHEMBL30848058 0.80 CCNT1 (0.38) OGAPDE2APDE10AALOX5HTR1D
SCHEMBL27143925 0.80 CCNT1 (0.38) OGAPDE2APDE10AALOX5HTR1D
SCHEMBL16332135 0.80 PDE2A (0.41) OGAPDE2APDE10AALOX5HTR1D
SCHEMBL17055342 0.75 OGA (0.40) OGANOS3NOS2KDM4EPDE2A
SCHEMBL28402049 0.73 ALOX5 (0.36) OGAKDM4EPDE10AALOX5HRH3
SCHEMBL9258923 0.72 CYP3A4 (0.38) KDM4EALOX5HTR1DHRH3CYP11B2
SCHEMBL26875277 0.71 PDE2A (0.38) OGAPDE2APDE10AALOX5CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 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 (2 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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G OGA 2153/4885NOS3 247/4885NOS2 504/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A OGA 2691/4885NOS3 317/4885NOS2 593/4885

“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.