SCHEMBL4725550

SCHEMBL4725550

Clc1c[c]c(OCC2CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
PARP15 Q460N3 4/20 0.36
PARP10 Q53GL7 4/20 0.36
PARP2 Q9UGN5 1/20 0.36
ATF4 P18848 1/20 0.36
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PTGER1 P34995 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL15474975 0.95 SLC6A4 (0.44) SLC6A4HTR6PARP15PARP10PTGER1
SCHEMBL4778814 0.84 DRD4 (0.34) SLC6A4HTR6MCHR1
SCHEMBL4725402 0.80 CNR1 (0.40) ATF4MCHR1
SCHEMBL1197416 0.77 NPC1 (0.46)
SCHEMBL4779674 0.77 NFE2L2 (0.35) MCHR1
SCHEMBL5495552 0.77 MAOA (0.49) PARP15PARP10PARP2
SCHEMBL4726187 0.76 NPC1 (0.43) SLC6A4HTR2CPTGER1
SCHEMBL15474659 0.75 PARP10 (0.39) PARP15PARP10MCHR1
SCHEMBL4776738 0.75 MCHR1 (0.34) MCHR1
SCHEMBL4780152 0.72 HTR2C (0.42) SLC6A4PARP15PARP10PARP2HTR2C

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 8 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
WO-2008012622-A2 AZABENZIMIDAZOLYL 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 SLC6A4 642/4885HTR6 697/4885PARP15 2435/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 SLC6A4 719/4885HTR6 847/4885PARP15 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.