SCHEMBL1999697

SCHEMBL1999697

CC(C)(C)OC(=O)Cc1nc(Cl)cc2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
AAK1 Q2M2I8 4/20 0.36
S1PR2 O95136 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CCNT1 O60563 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
GCK P35557 1/20 0.34
BRD4 O60885 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GRM2 Q14416 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
SCHEMBL1992679 0.84 MEN1 (0.43) S1PR2KMT2A
SCHEMBL2212160 0.83 ACACB (0.41) MTNR1AMTNR1BKMT2A
SCHEMBL1994461 0.80 TSHR (0.42) S1PR2PTGDR2
SCHEMBL1996104 0.79 AAK1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29223296 0.73 LMNA (0.40) MTNR1AMTNR1BLMNAKMT2A
SCHEMBL708727 0.72 PTGDR2 (0.42) MTNR1AMTNR1BPTGDR2
SCHEMBL855783 0.71 LMNA (0.37) AAK1MTNR1AMTNR1BLMNAKMT2A
SCHEMBL14911490 0.71 CYSLTR2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL710170 0.70 PTGDR2 (0.42) MTNR1AMTNR1BPTGDR2
SCHEMBL29200755 0.70 TRPA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3

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-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO GABRA1 922/4885GABRG2 1649/4885GABRB3 1319/4885

“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.