SCHEMBL22797245

SCHEMBL22797245

CC(C)(C)OC(=O)N1CC2(CC(Nc3ccc(Cl)nn3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.47
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
CDK9 P50750 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KRAS P01116 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
STS P08842 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL20919359 0.89 NAMPT (0.44) CDK9ALDH1A1HTTNPC1MAPT
SCHEMBL22797253 0.86 PTPN2 (0.46) EHMT2OXTRAVPR1ANPC1RAB9A
SCHEMBL30012480 0.85 EHMT2 (0.46) EHMT2OXTRAVPR1ACDK9ALDH1A1
SCHEMBL25300699 0.85 EHMT2 (0.46) EHMT2OXTRAVPR1ACDK9ALDH1A1
SCHEMBL22671931 0.83 IDH1 (0.40) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL29565939 0.83 IDH1 (0.40) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL22797244 0.83 ALDH1A1 (0.58) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL22609210 0.82 GAA (0.38) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL22214268 0.81 KMT2A (0.38) EHMT2CDK9ALDH1A1HTTNPC1
SCHEMBL30728859 0.81 KMT2A (0.38) EHMT2CDK9ALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-05-10 US disclosed
US-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-05-10 US disclosed
US-20200392117-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-12-17 US 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-20200392117-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 EHMT2 561/4885OXTR 236/4885AVPR1A 287/4885
US-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM5 EHMT2 702/4885OXTR 218/4885AVPR1A 275/4885

“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.