SCHEMBL20723367

SCHEMBL20723367

CC(C)(C)OC(=O)N1CC2CCN(c3ccc(Cl)nn3)C2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
GPR119 Q8TDV5 10/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
LIPE Q05469 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TP53 P04637 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL31200510 1.00 USP30 (0.48) USP30GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL25417272 0.94 GPR119 (0.46) USP30GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL31200661 0.94 GPR119 (0.46) USP30GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL31200782 0.89 GPR119 (0.43) USP30GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL31200567 0.84 LMNA (0.44) MEN1KMT2ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL31200501 0.82 NAMPT (0.40) USP30MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL649953 0.82 GPR119 (0.47) USP30GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL650888 0.82 GPR119 (0.47) USP30GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL653024 0.82 GPR119 (0.47) USP30GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL928411 0.82 PDE10A (0.48) GPR119MEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225484-B2 Substituted octahydropyrrolo[3,4-b]pyrroles as antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-01-18 US disclosed
US-11225484-B2 Substituted octahydropyrrolo[3,4-b]pyrroles as antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-01-18 US disclosed
US-20200369666-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-11-26 US disclosed
US-20200369666-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-11-26 US disclosed
EP-3665175-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2020-06-17 EP disclosed
WO-2019032654-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-02-14 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 (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-11225484-B2 Substituted octahydropyrrolo[3,4-b]pyrroles as antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM4, CHRM3 USP30 3828/4885GPR119 125/4885MEN1 2108/4885
US-20200369666-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM2, CHRM3 USP30 3530/4885GPR119 108/4885MEN1 1356/4885

“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.