SCHEMBL4882952

SCHEMBL4882952

C[C@H]1CNCC[C@H]1c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.42
HTR2A P28223 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRNB2 P17787 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
KDM1A O60341 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
MAOB P27338 1/20 0.37
AR P10275 4/20 0.37
SLC6A4 P31645 2/20 0.36
AKT1 P31749 3/20 0.36
RPS6KB1 P23443 2/20 0.36
HTR2C P28335 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
SCHEMBL4882966 1.00 P2RY14 (0.42) P2RY14HTR2AADRA2ACHRNB2ADRA2C
SCHEMBL4882961 1.00 P2RY14 (0.42) P2RY14HTR2AADRA2ACHRNB2ADRA2C
SCHEMBL4889938 0.89 KDM1A (0.52) P2RY14HTR2ACHRNB2CHRNB4CHRNA3
SCHEMBL4889946 0.89 KDM1A (0.52) P2RY14HTR2ACHRNB2CHRNB4CHRNA3
SCHEMBL4889950 0.89 KDM1A (0.52) P2RY14HTR2ACHRNB2CHRNB4CHRNA3
SCHEMBL23873175 0.86 P2RY14 (0.42) P2RY14HTR2AKDM1AARAKT1
SCHEMBL26111251 0.86 P2RY14 (0.42) P2RY14HTR2AKDM1AARAKT1
SCHEMBL23873176 0.86 P2RY14 (0.42) P2RY14HTR2AKDM1AARAKT1
SCHEMBL21404020 0.84 KDM1A (0.51) KDM1AMAOBAKT1RPS6KB1
SCHEMBL21404000 0.84 KDM1A (0.51) KDM1AMAOBAKT1RPS6KB1

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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 P2RY14 1860/4885HTR2A 1378/4885ADRA2A 936/4885

“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.