SCHEMBL23744736

SCHEMBL23744736

COc1ccc2nc(N3C[C@@H](C)N(C(=O)OC4CCN(Cc5ccc(F)cc5)CC4)C[C@@H]3C)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 2/20 0.41
CCR1 P32246 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
SLC18A3 Q16572 4/20 0.39
DRD2 P14416 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CCR3 P51677 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL23744584 0.93 HCAR2 (0.42) ACHEKDM4E
SCHEMBL23744486 0.93 HCAR2 (0.42) ACHEKDM4E
SCHEMBL23744724 0.93 CHRM2 (0.39) PRKAA2CCR1CCR3
SCHEMBL23744472 0.92 HRH3 (0.38) KDM4EHRH3
SCHEMBL23744740 0.92 CHEK2 (0.45) PRKAA2
SCHEMBL26429665 0.90 CCR1 (0.36) PRKAA2CCR1SLC18A3DRD2KDM4E
SCHEMBL23744723 0.89 HCAR2 (0.47) PRKAA2CCR1DRD2CCR3
SCHEMBL23744451 0.88 HCAR2 (0.44) CCR3
SCHEMBL23744471 0.88 CHRM4 (0.38) CCR1CCR3
SCHEMBL23744735 0.86 HRH3 (0.43) PRKAA2MEN1KMT2AACHEPRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 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 (1 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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 PRKAA2 3911/4885CCR1 511/4885MEN1 1049/4885

“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.