SCHEMBL22797253

SCHEMBL22797253

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
WNT1 P04628 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK1A Q13627 2/20 0.45
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
STS P08842 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
EHMT2 Q96KQ7 1/20 0.39
KRAS P01116 1/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
F13A1 P00488 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
SCHEMBL22797245 0.86 EHMT2 (0.47) OXTRAVPR1ASTSNPC1RAB9A
SCHEMBL22797037 0.85 PTPN2 (0.62) PTPN2PTPN1PTPN6STSNPC1
SCHEMBL22609246 0.84 WNT1 (0.37) WNT1GSK3BDYRK1ALMNA
SCHEMBL23545060 0.81 PTPN2 (0.46) PTPN2PTPN1PTPN6STSNPC1
SCHEMBL20641873 0.80 NAMPT (0.43) PTPN2PTPN1PTPN6STS
SCHEMBL22797252 0.79 WNT1 (0.48) PTPN2PTPN1PTPN6WNT1GSK3B
SCHEMBL22797249 0.78 NAMPT (0.40) OXTRAVPR1A
SCHEMBL20919359 0.77 NAMPT (0.44) STSNPC1RAB9AKMT2A
SCHEMBL30443186 0.76 TDP1 (0.46) PTPN2PTPN1PTPN6WNT1GSK3B
SCHEMBL30161859 0.75 WNT1 (0.48) PTPN2PTPN1PTPN6WNT1GSK3B

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 PTPN2 1943/4885PTPN1 1885/4885PTPN6 1714/4885
US-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM5 PTPN2 2214/4885PTPN1 2212/4885PTPN6 2032/4885

“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.