SCHEMBL999725

SCHEMBL999725

NCc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.49
FFAR1 O14842 4/20 0.49
HTR2C P28335 1/20 0.45
ABL1 P00519 2/20 0.43
PRMT6 Q96LA8 1/20 0.42
GRM2 Q14416 1/20 0.40
CYP2C9 P11712 1/20 0.40
CACNA1C Q13936 1/20 0.40
CTSD P07339 3/20 0.39
BACE1 P56817 3/20 0.39
BACE2 Q9Y5Z0 3/20 0.39
PPARA Q07869 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL2092334 0.80 HRH3 (0.56) HTR2CPRMT6GRM2PPARAGRIN2B
SCHEMBL16894251 0.80 MAOB (0.53) FFAR4
Hydrochloric Acid SCHEMBL2803821 0.79 HRH3 (0.54) HTR2CPRMT6GRM2
SCHEMBL106741 0.78 HTR2C (0.54) HTR2CGRIN2B
Iodide SCHEMBL29203661 0.76 HTR2C (0.52) HTR2CGRIN2B
Bromide SCHEMBL29203657 0.76 HTR2C (0.52) HTR2CGRIN2B
Hydrochloric Acid SCHEMBL13268897 0.76 MAOB (0.53) HTR2CGRIN2B
SCHEMBL999605 0.76 FFAR4 (0.45) FFAR4FFAR1HTR2CABL1CYP2C9
SCHEMBL10075879 0.76 ABAT (0.52) BACE1
SCHEMBL999155 0.75 TRPV3 (0.49) FFAR4FFAR1ABL1PPARA

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
EP-2454240-A1 GLYCINE TRANSPORTER INHIBITORS Taisho Pharmaceutical Co., Ltd. (JP) 2012-05-23 EP disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
WO-2011007899-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 WO disclosed
WO-2011007899-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 FFAR4 3234/4885FFAR1 2512/4885HTR2C 247/4885

“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.