SCHEMBL29664609

SCHEMBL29664609

COc1cc(C(F)(F)CCC#N)ccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SORT1 Q99523 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SLC13A5 Q86YT5 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL23216904 1.00 CASP1 (0.40) CASP1HSD17B10LOXLOXL2SORT1
SCHEMBL23214882 0.92 LOX (0.38) CASP1HSD17B10LOXLOXL2SORT1
SCHEMBL29664648 0.92 LOX (0.38) CASP1HSD17B10LOXLOXL2SORT1
SCHEMBL23215087 0.78 LOX (0.41) LOXLOXL2SORT1AAK1GABRA1
SCHEMBL29664670 0.78 LOX (0.41) LOXLOXL2SORT1AAK1GABRA1
SCHEMBL23215152 0.77 LOX (0.45) LOXLOXL2SORT1AAK1GABRA1
SCHEMBL29664692 0.77 LOX (0.45) LOXLOXL2SORT1AAK1GABRA1
SCHEMBL29664623 0.77 FFAR1 (0.48) LOXLOXL2SORT1CYP3A4FFAR1
SCHEMBL23216720 0.77 FFAR1 (0.48) LOXLOXL2SORT1CYP3A4FFAR1
SCHEMBL31121348 0.74 NOS3 (0.52) LOXLOXL2SORT1AAK1GABRA1

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-20250171455-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS INC (US) 2025-05-29 US disclosed
EP-4322951-A1 CRYSTALLINE COMPOUND OF MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2024-02-21 EP disclosed
CN-117479941-A Crystalline compounds of muscarinic acetylcholine M1 receptor antagonists 帕珀莱恩医疗公司 2024-01-30 CN disclosed
WO-2022221450-A1 CRYSTALLINE COMPOUND OF MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2022-10-20 WO disclosed
CN-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN 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-20250171455-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM3 CASP1 4215/4885HSD17B10 2834/4885LOX 1331/4885

“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.