SCHEMBL4778258

SCHEMBL4778258

CC[C@H](C)COc1[c]cc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.35
FFAR1 O14842 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MCHR1 Q99705 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
MAPT P10636 1/20 0.31
GPR88 Q9GZN0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4780261 1.00 SCN4A (0.35) SCN4AFFAR1TLR8MCHR1SIGMAR1
SCHEMBL358613 0.84 KDM1A (0.38) SCN4AALDH1A1
SCHEMBL162984 0.78 NQO1 (0.36) MAPTKDM4EALDH1A1
SCHEMBL159714 0.77 HTR2A (0.35)
SCHEMBL27587473 0.75 SCN4A (0.37) SCN4AFFAR1TLR8MCHR1CDK1
SCHEMBL159611 0.75 KMT2A (0.35) MAPTKDM4EALDH1A1HTT
SCHEMBL159607 0.74 SMN1; SMN2 (0.40) ALDH1A1
SCHEMBL358790 0.73 CYP1A2 (0.42) KDM4E
SCHEMBL27771397 0.72 FFAR1 (0.40) SCN4AFFAR1TLR8MCHR1CDK1
SCHEMBL4776326 0.72 FFAR1 (0.40) SCN4AFFAR1TLR8MCHR1CDK1

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
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
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 SCN4A 1396/4885FFAR1 3377/4885TLR8 4500/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 SCN4A 934/4885FFAR1 3912/4885TLR8 4662/4885

“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.