SCHEMBL22797252

SCHEMBL22797252

Cc1cnn(C)c1-c1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 5/20 0.48
GSK3B P49841 5/20 0.48
DYRK1A Q13627 5/20 0.48
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
EHMT2 Q96KQ7 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
KRAS P01116 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
KMT2A Q03164 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
WNT3A P56704 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34

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
SCHEMBL22609334 0.88 GSK3B (0.39) WNT1GSK3BDYRK1AABL1
SCHEMBL22797251 0.88 PTPN2 (0.52) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL22797243 0.86 WNT1 (0.39) WNT1GSK3BDYRK1AEHMT2OXTR
SCHEMBL20936735 0.85 PTPN2 (0.39) WNT1GSK3BDYRK1APTPN2PTPN1
SCHEMBL27431559 0.83 NAMPT (0.41) PTPN2PTPN1PTPN6F13A1TGM2
SCHEMBL20919808 0.81 NAMPT (0.41) GPR119ACACB
SCHEMBL22797253 0.79 PTPN2 (0.46) WNT1GSK3BDYRK1APTPN2PTPN1
SCHEMBL20642080 0.78 NAMPT (0.49) GPR119
SCHEMBL22797242 0.78 BCDIN3D (0.49) GPR119MAPT
SCHEMBL23523211 0.76 NR1H2 (0.38) EHMT2F13A1TGM2TGM1GPR119

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 WNT1 4356/4885GSK3B 4245/4885DYRK1A 2753/4885
US-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM5 WNT1 4327/4885GSK3B 4258/4885DYRK1A 3068/4885

“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.