SCHEMBL1996104

SCHEMBL1996104

CC(C)(C)OC(=O)Cc1nc(Cl)nc2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.38
GRM2 Q14416 2/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
CCNT1 O60563 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
TBXA2R P21731 3/20 0.34
DGAT2 Q96PD7 1/20 0.34
TSHR P16473 1/20 0.33
GCK P35557 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
SCHEMBL1999697 0.79 GABRA1 (0.38) AAK1GRM2MTNR1AMTNR1BGABRA1
SCHEMBL1994108 0.78 TLR9 (0.42)
SCHEMBL1997802 0.76 MTNR1A (0.35) MTNR1AMTNR1BCCNT1
SCHEMBL1993736 0.74 ALDH1A1 (0.48) TSHR
SCHEMBL14911490 0.73 CYSLTR2 (0.45) MTNR1AMTNR1BGABRA1GABRG2GABRB3
SCHEMBL2212160 0.69 ACACB (0.41) MTNR1AMTNR1B
SCHEMBL16505557 0.68 TSHR (0.52) GABRA2TSHR
SCHEMBL30667942 0.68 TSHR (0.52) GABRA2TSHR
SCHEMBL26684310 0.67 BCKDK (0.42) GRM2
SCHEMBL25972059 0.67 MTNR1A (0.56) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AAK1 3246/4885GRM2 1557/4885MTNR1A 365/4885

“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.