SCHEMBL22797243

SCHEMBL22797243

Cc1cnn(C)c1-c1ccc(NCC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NAMPT P43490 4/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
RORC P51449 1/20 0.38
EHMT2 Q96KQ7 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
KRAS P01116 1/20 0.34
PRMT5 O14744 1/20 0.34
ACACB O00763 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
IRAK1 P51617 1/20 0.33
IDO1 P14902 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL22609238 0.87 ACHE (0.33)
SCHEMBL22797242 0.87 BCDIN3D (0.49) BCDIN3DPRMT5GPR119CCNT1CDK9
SCHEMBL22797252 0.86 WNT1 (0.48) WNT1GSK3BDYRK1AEHMT2OXTR
SCHEMBL23957013 0.85 NR1H2 (0.43) NAMPTBCDIN3DPRMT5GPR119CCNT1
SCHEMBL29773457 0.85 NR1H2 (0.43) NAMPTBCDIN3DPRMT5GPR119CCNT1
SCHEMBL23523399 0.85 NR1H2 (0.43) NAMPTBCDIN3DPRMT5GPR119CCNT1
SCHEMBL20642080 0.83 NAMPT (0.49) NAMPTGPR119
SCHEMBL22609204 0.81 CHRM4 (0.33)
SCHEMBL20919808 0.80 NAMPT (0.41) NAMPTACACBGPR119CDK9
SCHEMBL22397923 0.79 USP30 (0.34) NAMPTBCDIN3DGPR119CCNT1CDK9

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.