SCHEMBL30345769

SCHEMBL30345769

COc1ccc2nc(N3CCN[C@H](C)C3)cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HCRTR1 O43613 5/20 0.43
HCRTR2 O43614 5/20 0.43
ZAP70 P43403 3/20 0.41
MCHR1 Q99705 2/20 0.41
NCF1 P14598 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL23744101 1.00 NPC1 (0.48) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL23744761 0.86 ALDH1A1 (0.48) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL23744762 0.86 ALDH1A1 (0.48) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL13666122 0.84 ALDH1A1 (0.56) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL23744797 0.83 ACVR1 (0.47) NPC1RAB9AZAP70MCHR1HRH4
SCHEMBL31142841 0.81 HTR3A (0.56) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL10219262 0.81 HTR3A (0.56) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL15543531 0.81 HTR3A (0.56) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL23744804 0.80 SCN9A (0.42) MCHR1NCF1HRH4HRH3PRKCQ
SCHEMBL23744103 0.80 MCHR1 (0.42) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2

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 NPC1 1236/4885ALDH1A1 1378/4885RAB9A 3190/4885

“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.