SCHEMBL12059596

SCHEMBL12059596

CN1C(=O)c2ccccc2N(C)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.69
CES1 P23141 1/20 0.69
MAPT P10636 5/20 0.59
DRD2 P14416 2/20 0.59
HTR6 P50406 2/20 0.59
LMNA P02545 2/20 0.59
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
DRD1 P21728 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2A P28223 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR7 P34969 1/20 0.59
ADRA1A P35348 1/20 0.59
HRH1 P35367 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
CASP3 P42574 1/20 0.54
RAB9A P51151 2/20 0.53

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
SCHEMBL16127516 0.95 TTR (0.75) TTRCES1MAPTDRD2HTR6
SCHEMBL22879308 0.84 TTR (0.55) TTRCES1MAPTDRD2HTR6
SCHEMBL13039623 0.82 TTR (0.69) TTRCES1MAPTDRD2HTR6
SCHEMBL126628 0.82 CES1 (1.00) TTRCES1CASP3RAB9ATRPA1
SCHEMBL30077375 0.82 TTR (0.69) TTRCES1MAPTDRD2HTR6
SCHEMBL28252336 0.82 CES1 (1.00) TTRCES1CASP3RAB9ATRPA1
SCHEMBL24119646 0.81 TTR (0.52) TTRCES1MAPTDRD2HTR6
SCHEMBL21311761 0.81 MAPT (0.67) TTRCES1MAPTDRD2HTR6
SCHEMBL17080081 0.81 CES1 (0.58) TTRCES1MAPTDRD2HTR6
SCHEMBL12043657 0.81 TTR (0.52) TTRCES1MAPTDRD2HTR6

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
WO-2019161781-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF 北京泰德制药股份有限公司 2019-08-29 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 TTR 4011/4885CES1 2253/4885MAPT 1763/4885

“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.