SCHEMBL4889946

SCHEMBL4889946

CC1CNCCC1c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.52
RPS6KB1 P23443 2/20 0.43
HTR2A P28223 2/20 0.43
P2RY14 Q15391 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRM2 P08172 1/20 0.40
DRD2 P14416 1/20 0.40
CHRNB2 P17787 1/20 0.40
DRD4 P21917 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MAOB P27338 1/20 0.37
AKT1 P31749 5/20 0.36
HTR2C P28335 4/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL4889938 1.00 KDM1A (0.52) KDM1ARPS6KB1HTR2AP2RY14KCNH2
SCHEMBL4889950 1.00 KDM1A (0.52) KDM1ARPS6KB1HTR2AP2RY14KCNH2
SCHEMBL4882952 0.89 P2RY14 (0.42) KDM1ARPS6KB1HTR2AP2RY14CHRNB2
SCHEMBL4882966 0.89 P2RY14 (0.42) KDM1ARPS6KB1HTR2AP2RY14CHRNB2
SCHEMBL4882961 0.89 P2RY14 (0.42) KDM1ARPS6KB1HTR2AP2RY14CHRNB2
SCHEMBL23873188 0.86 HTR2A (0.43) KDM1ARPS6KB1HTR2AP2RY14AKT1
SCHEMBL26120963 0.86 HTR2A (0.43) KDM1ARPS6KB1HTR2AP2RY14AKT1
SCHEMBL23873193 0.86 HTR2A (0.43) KDM1ARPS6KB1HTR2AP2RY14AKT1
SCHEMBL4896004 0.85 KCNH2 (0.43) KDM1AHTR2AP2RY14KCNH2AKT1
SCHEMBL4896024 0.85 KCNH2 (0.43) KDM1AHTR2AP2RY14KCNH2AKT1

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
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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 (2 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 KDM1A 3628/4885RPS6KB1 1587/4885HTR2A 1682/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 KDM1A 2147/4885RPS6KB1 839/4885HTR2A 1378/4885

“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.