SCHEMBL4896013

SCHEMBL4896013

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
HTR2A P28223 2/20 0.42
P2RY14 Q15391 1/20 0.41
AKT1 P31749 8/20 0.41
ROCK2 O75116 2/20 0.40
HTR2C P28335 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR3A P46098 1/20 0.36
KDM1A O60341 1/20 0.35
HTR2B P41595 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 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
SCHEMBL4896004 1.00 KCNH2 (0.43) KCNH2HTR2AP2RY14AKT1ROCK2
SCHEMBL4896024 1.00 KCNH2 (0.43) KCNH2HTR2AP2RY14AKT1ROCK2
SCHEMBL26120963 0.85 HTR2A (0.43) HTR2AP2RY14AKT1HTR2CKDM1A
SCHEMBL4889946 0.85 KDM1A (0.52) KCNH2HTR2AP2RY14AKT1HTR2C
SCHEMBL23873193 0.85 HTR2A (0.43) HTR2AP2RY14AKT1HTR2CKDM1A
SCHEMBL23873188 0.85 HTR2A (0.43) HTR2AP2RY14AKT1HTR2CKDM1A
SCHEMBL4889938 0.85 KDM1A (0.52) KCNH2HTR2AP2RY14AKT1HTR2C
SCHEMBL4889950 0.85 KDM1A (0.52) KCNH2HTR2AP2RY14AKT1HTR2C
SCHEMBL23873175 0.82 P2RY14 (0.42) HTR2AP2RY14AKT1HTR2CKDM1A
SCHEMBL23873176 0.82 P2RY14 (0.42) HTR2AP2RY14AKT1HTR2CKDM1A

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 KCNH2 434/4885HTR2A 1378/4885P2RY14 1860/4885

“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.