SCHEMBL4780152

SCHEMBL4780152

[c]1ccccc1OCC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
MCHR1 Q99705 3/20 0.40
PARP15 Q460N3 4/20 0.38
PARP10 Q53GL7 4/20 0.38
PARP2 Q9UGN5 1/20 0.38
RIPK1 Q13546 1/20 0.38
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PDK2 Q15119 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4726241 0.96 MCHR1 (0.40) HTR2CMCHR1PARP15PARP10RIPK1
SCHEMBL1986158 0.95 MCHR1 (0.41) HTR2CMCHR1PARP15PARP10RIPK1
SCHEMBL1221903 0.93 RIPK1 (0.44) HTR2CPARP15PARP10PARP2RIPK1
SCHEMBL15515432 0.85 SLC6A2 (0.51) SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL12097795 0.81 NTRK1 (0.34) HTR2CMCHR1RIPK1
SCHEMBL15405232 0.80 MCHR1 (0.31) HTR2CMCHR1
SCHEMBL12482533 0.79 MCHR1 (0.46) MCHR1
SCHEMBL15515808 0.79 SLC6A2 (0.54) MAOBSLC6A2SLC6A4HTR3AKCNH2
SCHEMBL12483123 0.79 ALDH1A1 (0.31) RIPK1
SCHEMBL29130463 0.77 HRH3 (0.43) MCHR1MAOAMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO 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 HTR2C 575/4885MCHR1 4513/4885PARP15 2435/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 HTR2C 465/4885MCHR1 4233/4885PARP15 2551/4885

“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.