SCHEMBL21588456

SCHEMBL21588456

C[C@@H]1CN(c2ccc(Br)cn2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
NR3C2 P08235 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SYK P43405 1/20 0.42
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAP3K7 O43318 2/20 0.41
LRRK2 Q5S007 7/20 0.40
OGA O60502 1/20 0.39
WNT3A P56704 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL21588462 1.00 AKR1C3 (0.46) AKR1C3NR3C2GRIN2DGRIN3BGRIN1
SCHEMBL21588286 1.00 AKR1C3 (0.46) AKR1C3NR3C2GRIN2DGRIN3BGRIN1
SCHEMBL14376036 0.85 NR3C2 (0.47) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2744990 0.82 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12235349 0.82 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12235930 0.82 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11359952 0.81 KMT2A (0.51) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17803130 0.81 KMT2A (0.51) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17128421 0.81 KMT2A (0.51) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29914603 0.81 KMT2A (0.51) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A

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 AKR1C3 3879/4885NR3C2 3622/4885GRIN2D 769/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 AKR1C3 3317/4885NR3C2 2559/4885GRIN2D 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.