SCHEMBL23523399

SCHEMBL23523399

Cc1cnn(C)c1-c1ccc(NC[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
BCDIN3D Q7Z5W3 1/20 0.37
NAMPT P43490 1/20 0.36
BRD4 O60885 2/20 0.36
JAK1 P23458 2/20 0.35
CDK9 P50750 2/20 0.34
CCNT1 O60563 1/20 0.34
IDO1 P14902 2/20 0.33
SPR P35270 1/20 0.33
IRAK1 P51617 1/20 0.33
JAK2 O60674 1/20 0.33
TDO2 P48775 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
PRMT5 O14744 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
BUB1 O43683 1/20 0.32

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
SCHEMBL23957013 1.00 NR1H2 (0.43) NR1H2BCDIN3DNAMPTBRD4JAK1
SCHEMBL29773457 1.00 NR1H2 (0.43) NR1H2BCDIN3DNAMPTBRD4JAK1
SCHEMBL23523458 0.91 NR1H2 (0.41) NR1H2BCDIN3DNAMPTJAK1SPR
SCHEMBL22797242 0.88 BCDIN3D (0.49) BCDIN3DBRD4JAK1CDK9CCNT1
SCHEMBL23932281 0.87 ACHE (0.33)
SCHEMBL20920053 0.87 ACHE (0.33)
SCHEMBL23932279 0.87 ACHE (0.33)
SCHEMBL23932284 0.87 ACHE (0.33)
SCHEMBL23523211 0.86 NR1H2 (0.38) NR1H2JAK1JAK2FLT3GPR119
SCHEMBL20936959 0.86 NR1H2 (0.38) NR1H2JAK1JAK2FLT3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 US disclosed
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2022-07-07 US disclosed
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-04-12 US disclosed
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-04-12 US disclosed
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2021-06-24 US disclosed
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2021-06-24 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 (6 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-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885BCDIN3D 978/4885NAMPT 2415/4885
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1H2 518/4885BCDIN3D 1434/4885NAMPT 2607/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1H2 498/4885BCDIN3D 1508/4885NAMPT 2626/4885
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885BCDIN3D 978/4885NAMPT 2415/4885
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885BCDIN3D 978/4885NAMPT 2415/4885
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885BCDIN3D 978/4885NAMPT 2415/4885

“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.