SCHEMBL26919352

SCHEMBL26919352

O=C(O)ON[C@H]1CN(c2ccc(Br)cn2)C[C@@H]1Oc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.39
▸ HCRTR2 O43614 10/20 0.38
▸ HCRTR1 O43613 8/20 0.38
▸ RET P07949 6/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL29782960 0.87 ACACB (0.40) ACACBHCRTR2HCRTR1RET
SCHEMBL29749185 0.81 PDE10A (0.41) ACACBRET
SCHEMBL26918920 0.79 ACACB (0.43) ACACBRETGRIN2DGRIN3BGRIN1
SCHEMBL26918962 0.79 ACACB (0.43) ACACBRETGRIN2DGRIN3BGRIN1
SCHEMBL31144052 0.76 HCRTR2 (0.38) ACACBHCRTR2HCRTR1RETGRIN2D
SCHEMBL28701004 0.76 HCRTR2 (0.38) ACACBHCRTR2HCRTR1RETGRIN2D
SCHEMBL28840055 0.71 GRIN2D (0.41) ACACBHCRTR2HCRTR1RETGRIN2D
SCHEMBL29782901 0.70 PDE10A (0.48) RETGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20474698 0.65 AKR1C3 (0.49) ACACBRETKDM4EGRIN2DGRIN3B
SCHEMBL29782973 0.65 ACACB (0.44) ACACBRET

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 ACACB 4590/4885HCRTR2 2750/4885HCRTR1 1999/4885

“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.

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