SCHEMBL4778727

SCHEMBL4778727

CC(C)(C)OC(=O)N1CCC(F)(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.51
HDAC2 Q92769 2/20 0.48
HDAC1 Q13547 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
TACR1 P25103 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL1200040 0.88 RORC (0.53) RORCJAK2JAK1TSHRALOX15
SCHEMBL27175809 0.88 NR1H2 (0.48) RORCHDAC2HDAC1TSHRALOX15
SCHEMBL2588263 0.88 MEN1 (0.55) MEN1KMT2ATSHRALOX15ATM
SCHEMBL237234 0.87 TSHR (0.56) RORCMEN1KMT2ATSHRALOX15
SCHEMBL15961875 0.86 KMT2A (0.45) RORCHDAC1MEN1KMT2ATSHR
SCHEMBL3266179 0.86 RORC (0.51) RORCHDAC2HDAC1MEN1KMT2A
SCHEMBL29087373 0.85 RORC (0.50) RORCHDAC2HDAC1MEN1KMT2A
SCHEMBL31382020 0.84 TSHR (0.51) RORCHDAC2HDAC1MEN1KMT2A
SCHEMBL5462841 0.84 GPR119 (0.53) JAK2JAK1
SCHEMBL229653 0.84 KMT2A (0.47) RORCHDAC2HDAC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
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 RORC 1322/4885HDAC2 393/4885HDAC1 608/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 RORC 797/4885HDAC2 282/4885HDAC1 238/4885

“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.