SCHEMBL1659020

SCHEMBL1659020

FC(F)(F)c1cc(Cl)cc(C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
ACLY P53396 1/20 0.43
HTR2C P28335 4/20 0.43
PTPN5 P54829 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.37
CNR1 P21554 3/20 0.36
DRD2 P14416 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
AHR P35869 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
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
SCHEMBL15516386 0.92 NOTUM (0.41) NOTUMACLYHTR2CPTPN5RAPGEF4
SCHEMBL15562144 0.85 NOTUM (0.53) NOTUMHTR2CPTPN5CNR1DRD2
SCHEMBL15907146 0.80 GABRA1 (0.32) NOTUMACLYGABRB2
SCHEMBL1662047 0.80 TSHR (0.41) DRD2GRM2
SCHEMBL23639043 0.78 SCN9A (0.38) NOTUMACLYHTR2CPTPN5RAPGEF4
SCHEMBL21312030 0.78 SCN9A (0.38) NOTUMACLYHTR2CPTPN5RAPGEF4
SCHEMBL15561902 0.78 TSHR (0.47) DRD2GRM2
SCHEMBL16959085 0.78 NOTUM (0.47) NOTUMHTR2CPTPN5CNR1DRD2
SCHEMBL28876087 0.78 NOTUM (0.47) NOTUMHTR2CPTPN5CNR1DRD2
SCHEMBL7784381 0.77 HTR1A (0.36) NOTUMACLYHTR2CRAPGEF4FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
EP-2887802-A2 METHODS OF SOIL PEST CONTROL Syngenta Participations AG (CH) 2015-07-01 EP disclosed
WO-2014029706-A2 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029710-A2 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014019609-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
CN-102137851-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same AMOREPACIFIC CORP 2011-07-27 CN 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
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

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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 NOTUM 3391/4885ACLY 3397/4885HTR2C 274/4885

“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.