SCHEMBL1662047

SCHEMBL1662047

Clc1cc(C2CC2)cc(C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.35
HTR3A P46098 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
GRM2 Q14416 1/20 0.33
ESR2 Q92731 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL15561902 0.97 TSHR (0.47) TSHRPOLBHTR3ADRD2GRM2
SCHEMBL3781520 0.88 TSHR (0.37) TSHRHTR3AALDH1A1ESR2SLC6A2
SCHEMBL3787031 0.88 SLC6A2 (0.38) TSHRHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3786509 0.86 CYP11B2 (0.39) TSHRHTR3AALDH1A1SLC6A2SLC6A4
SCHEMBL15562086 0.86 TSHR (0.42) TSHRHTR3AALDH1A1GRM2ESR2
SCHEMBL3792058 0.85 CYP3A4 (0.52) TSHRALDH1A1GRM2TP53CYP3A4
SCHEMBL14336873 0.85 ESR2 (0.48) TSHRDRD2GRM2ESR2ADAMTS5
SCHEMBL22815882 0.85 ESR2 (0.48) TSHRDRD2GRM2ESR2ADAMTS5
SCHEMBL22815878 0.85 TSHR (0.36) TSHRGRM2ADAMTS5
SCHEMBL3235797 0.85 WDR5 (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121393-A Aromatic amide compound and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
CN-113121463-A Amide compound with bicyclic structure and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
WO-2021136326-A1 ARYL AMIDE COMPOUND AND APPLICATION THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-07-08 WO disclosed
WO-2021136339-A1 AMIDE COMPOUND WITH BICYCLIC STRUCTURE AND USE THEREOF IN DRUG 广东东阳光药业有限公司 2021-07-08 WO disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TSHR 2249/4885POLB 4833/4885HTR3A 202/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TSHR 1688/4885POLB 2303/4885HTR3A 1346/4885

“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.