SCHEMBL23744808

SCHEMBL23744808

COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
GHSR Q92847 6/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
KCNH2 Q12809 1/20 0.47
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
DRD2 P14416 1/20 0.44
NTRK1 P04629 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
SCHEMBL23744796 0.81 MAPT (0.53) MAPTRAB9AKMT2AL3MBTL1GAA
SCHEMBL6720346 0.81 ADRB1 (0.62) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2249472 0.81 ADRB1 (0.62) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL21659256 0.80 KMT2A (0.46) GHSRTGFBR1ACVR1KCNH2CYP1A2
SCHEMBL1471142 0.80 POLB (0.42) TGFBR1ACVR1KCNH2MAP4K1L3MBTL1
SCHEMBL1471144 0.80 POLB (0.42) TGFBR1ACVR1KCNH2MAP4K1L3MBTL1
SCHEMBL81695 0.79 ADRB1 (0.48) ADRB1GHSRTGFBR1ACVR1KCNH2
SCHEMBL81349 0.79 ADRB1 (0.48) ADRB1GHSRTGFBR1ACVR1KCNH2
Hydrochloric Acid SCHEMBL2072724 0.78 POLB (0.41) TGFBR1ACVR1KCNH2L3MBTL1
Hydrochloric Acid SCHEMBL2072726 0.78 POLB (0.41) TGFBR1ACVR1KCNH2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
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 HTR3E 353/4885HTR3B 177/4885ADRB1 40/4885

“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.