SCHEMBL25680951

SCHEMBL25680951

Brc1ccc(N2CC3COCC3C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
PDE10A Q9Y233 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
ACACB O00763 1/20 0.42
PANK3 Q9H999 1/20 0.37
OGA O60502 1/20 0.37
TYK2 P29597 1/20 0.37
GRM1 Q13255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CXCR3 P49682 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
SCHEMBL25686088 1.00 AKR1C3 (0.50) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL29782885 0.84 GRIN2D (0.47) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL17610078 0.84 GRIN2D (0.47) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL22795923 0.82 PDE10A (0.43) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL29597177 0.82 PDE10A (0.43) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL22796041 0.81 GRIN2D (0.45) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL22796039 0.81 GRIN2D (0.45) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL30283050 0.81 PDE10A (0.50) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL13547453 0.81 PDE10A (0.50) AKR1C3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL21588382 0.80 PDE10A (0.44) PDE10AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 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-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B AKR1C3 3879/4885PDE10A 3424/4885GRIN2D 769/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 AKR1C3 3317/4885PDE10A 3163/4885GRIN2D 662/4885

“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.