SCHEMBL21588445

SCHEMBL21588445

Brc1ccc(N2CC3CC(C2)O3)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
AKR1C3 P42330 1/20 0.44
PDE10A Q9Y233 1/20 0.42
ACACB O00763 1/20 0.40
OGA O60502 1/20 0.38
POLB P06746 1/20 0.35
PANK3 Q9H999 1/20 0.35
SOS1 Q07889 6/20 0.34
MAP3K12 Q12852 1/20 0.33
CNR2 P34972 1/20 0.33
CXCR3 P49682 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17610078 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11359952 0.81 KMT2A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17803130 0.81 KMT2A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17128421 0.81 KMT2A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25686054 0.79 CNR2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20476215 0.79 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20071406 0.79 CHRNB4 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17316713 0.79 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13547453 0.79 PDE10A (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL25222660 0.78 CHRNB4 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 5 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
WO-2019233883-A1 TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES AC IMMUNE SA (CH) 2019-12-12 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 (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 GRIN2D 769/4885GRIN3B 292/4885GRIN1 137/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 GRIN2D 662/4885GRIN3B 266/4885GRIN1 113/4885

“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.