SCHEMBL31492307

SCHEMBL31492307

C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](C)N1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ MAPT P10636 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PTPN11 Q06124 3/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL4291718 0.81 MAPT (0.64) HTTMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL4291715 0.81 MAPT (0.64) HTTMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL30136607 0.79 HCRTR1 (0.46) HTTMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL15059750 0.79 HCRTR1 (0.44) HTTMAPTL3MBTL1HCRTR1HCRTR2
SCHEMBL24945764 0.78 PTPN11 (0.43) HTTPTPN11
SCHEMBL1671875 0.78 HCRTR1 (0.44) HTTMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL13442070 0.77 MAPT (0.59) HTTMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL23744157 0.76 PTPN11 (0.44) HTTPTPN11
SCHEMBL20476237 0.76 ALDH1A1 (0.40) HTTMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL31177639 0.75 HCRTR1 (0.42) HTTMAPTL3MBTL1HCRTR1HCRTR2

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-20250092022-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2025-03-20 — — 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-20250092022-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 HTT 2102/4885MAPT 1187/4885L3MBTL1 4078/4885

“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.

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