SCHEMBL26919005

SCHEMBL26919005

OC[C@H]1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.51
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ ACACB O00763 1/20 0.40
▸ BTK Q06187 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PANK3 Q9H999 1/20 0.36
▸ MMP7 P09237 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CXCR3 P49682 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
SCHEMBL29749067 1.00 PDE10A (0.51) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21812386 0.87 PDE10A (0.60) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30363091 0.84 PDE10A (0.43) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30283050 0.78 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13547453 0.78 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2118784 0.75 PDE10A (0.67) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29782885 0.75 GRIN2D (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17316713 0.75 GRIN2D (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17610078 0.75 GRIN2D (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24623342 0.73 PANK3 (0.37) PDE10ABTKPANK3CHRM4OGA

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-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) 2024-05-30 — — US disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 — — EP 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-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF RET, WEE1, JAK2 PDE10A 1522/4885GRIN2D 3968/4885GRIN3B 3083/4885

“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