SCHEMBL21588289

SCHEMBL21588289

C[C@@H]1COCCN1c1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.46
▸ ATR Q13535 5/20 0.45
▸ PIK3CA P42336 11/20 0.44
▸ PIK3CD O00329 3/20 0.44
▸ MTOR P42345 13/20 0.43
▸ PIK3R1 P27986 7/20 0.41
▸ RPTOR Q8N122 6/20 0.41
▸ MLST8 Q9BVC4 6/20 0.41
▸ RICTOR Q6R327 5/20 0.41
▸ MAPKAP1 Q9BPZ7 5/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3C3 Q8NEB9 2/20 0.41
▸ CHEK1 O14757 2/20 0.41
▸ PDCD1 Q15116 2/20 0.41
▸ ATRIP Q8WXE1 2/20 0.41
▸ CD274 Q9NZQ7 2/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
SCHEMBL21588447 1.00 AKR1C3 (0.46) AKR1C3ATRPIK3CAPIK3CDMTOR
SCHEMBL21588307 1.00 AKR1C3 (0.46) AKR1C3ATRPIK3CAPIK3CDMTOR
SCHEMBL15142035 0.82 ATR (0.46) ATRPIK3CAPIK3CDMTORPIK3R1
SCHEMBL15141830 0.82 ATR (0.46) ATRPIK3CAPIK3CDMTORPIK3R1
SCHEMBL15141832 0.82 ATR (0.46) ATRPIK3CAPIK3CDMTORPIK3R1
SCHEMBL20605987 0.81 MTOR (0.46) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL20606347 0.81 MTOR (0.46) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL20605988 0.81 MTOR (0.46) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL23023563 0.80 ATR (0.43) ATRPIK3CAPIK3CDMTORPIK3R1
SCHEMBL25359631 0.79 MTOR (0.43) ATRPIK3CAPIK3CDMTORPIK3C3

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 3879/4885ATR 1778/4885PIK3CA 4508/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 AKR1C3 3317/4885ATR 2442/4885PIK3CA 4672/4885

“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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