SCHEMBL6084094

SCHEMBL6084094

NCCc1ccc(F)cc1F.O=C(O)Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPK8 P45983 1/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 3/20 0.42
MAOB P27338 1/20 0.42
HTR2C P28335 1/20 0.42
DAO P14920 1/20 0.41
MPO P05164 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CXCL8 P10145 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
GAPDH P04406 1/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL503325 0.89 TSHR (0.53) TSHRMAPK8IDO1AGXTSIGMAR1
SCHEMBL29459931 0.89 TSHR (0.53) TSHRMAPK8IDO1AGXTSIGMAR1
Bromide SCHEMBL8397120 0.88 TSHR (0.51) TSHRMAPK8IDO1AGXTSIGMAR1
SCHEMBL29431834 0.84 IDO1 (0.57) IDO1AGXTHTR2AMAOBHTR2C
SCHEMBL1116576 0.84 IDO1 (0.57) IDO1AGXTHTR2AMAOBHTR2C
Hydrochloric Acid SCHEMBL2209462 0.82 IDO1 (0.59) IDO1AGXTHTR2AMAOBHTR2C
SCHEMBL20943390 0.81 HSD17B10 (0.46) TSHRFFAR1FFAR4TAAR1MEN1
SCHEMBL6084114 0.79 AGBL2 (0.42) TSHRMAPK8IDO1AGXTSIGMAR1
SCHEMBL2298577 0.79 AKR1B1 (0.43) TSHRCXCL8FFAR1FFAR4MEN1
SCHEMBL30637597 0.79 FFAR1 (0.59) HTR2AMAOBHTR2CFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 TSHR 440/4885MAPK8 2214/4885IDO1 4095/4885

“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.