SCHEMBL26089901

SCHEMBL26089901

Cc1ccnc(N2C[C@@H](C)N(C(=O)O)[C@H](C)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.50
HCRTR1 O43613 8/20 0.50
SLC6A7 Q99884 1/20 0.46
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL25238416 0.81 CHRM2 (0.38) HCRTR2HCRTR1SLC6A7
SCHEMBL25279880 0.80 CHRM2 (0.38) HCRTR2HCRTR1SLC6A7
SCHEMBL25279879 0.80 CHRM2 (0.38) HCRTR2HCRTR1SLC6A7
SCHEMBL27233812 0.76 ACACB (0.41) SLC6A7
SCHEMBL27233744 0.76 ACACB (0.41) SLC6A7
SCHEMBL29165971 0.76 ACACB (0.41) SLC6A7
SCHEMBL26090067 0.75 HCRTR2 (0.44) HCRTR2HCRTR1SLC6A7ALDH1A1POLB
SCHEMBL26086786 0.75 HCRTR2 (0.43) HCRTR2HCRTR1SLC6A7KDM4EALDH1A1
SCHEMBL26089752 0.75 HCRTR2 (0.43) HCRTR2HCRTR1SLC6A7KDM4EALDH1A1
SCHEMBL15285931 0.75 SLC6A7 (0.66) HCRTR2HCRTR1SLC6A7KDM4EALDH1A1

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 1 patent. 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

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 HCRTR2 183/4885HCRTR1 210/4885SLC6A7 2552/4885

“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.