SCHEMBL19741070

SCHEMBL19741070

CC(O)(CO)c1ccc(CN)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
LOXL2 Q9Y4K0 5/20 0.39
HDAC3 O15379 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
PLG P00747 2/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 0.38
KLKB1 P03952 1/20 0.38
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
KIF11 P52732 1/20 0.37
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL28444643 0.83 ABAT (0.43) ABATHRH3NOS3NOS1NOS2
SCHEMBL19754735 0.81 ESR1 (0.45) ABATHRH3NOS3NOS1NOS2
SCHEMBL24015330 0.81 MEN1 (0.41) KIF11TAAR1TNKSPARP1TNKS2
SCHEMBL4825874 0.80 ABAT (0.48) ABATHRH3NOS3NOS1NOS2
SCHEMBL10400441 0.78 MAPT (0.42) KIF11AOC3TNKSPARP1TNKS2
SCHEMBL24032604 0.78 LMNA (0.50) KIF11TNKSPARP1TNKS2
SCHEMBL18473554 0.77 ABAT (0.44) ABATHRH3NOS3NOS1NOS2
SCHEMBL8568763 0.76 PTGS1 (0.42)
SCHEMBL8567450 0.76 PTGS1 (0.42)
SCHEMBL8568757 0.76 PTGS1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2025-01-23 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 EP disclosed
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 EP disclosed
CN-109310668-B Positive allosteric modulators of muscarinic acetylcholine receptor M4 范德比尔特大学 2023-01-24 CN disclosed
US-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-01-19 US disclosed
US-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-01-19 US disclosed
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-10-12 US disclosed
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-10-12 US disclosed
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-05-30 US disclosed
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-05-30 US disclosed
EP-3474846-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2019-05-01 EP disclosed
US-10239887-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2019-03-26 US disclosed
US-10239887-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2019-03-26 US disclosed
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-12-28 US disclosed
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-12-28 US disclosed
WO-2017223290-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2017-12-28 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 (7 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-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885NOS3 2986/4885
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885NOS3 2986/4885
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885NOS3 2986/4885
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885NOS3 2986/4885
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885NOS3 2986/4885
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885NOS3 2986/4885
US-10239887-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885NOS3 2986/4885

“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.