SCHEMBL1003082

SCHEMBL1003082

CC(C)NCc1ccc(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC2A1 P11166 1/20 0.38
PARP1 P09874 4/20 0.37
S1PR3 Q99500 1/20 0.36
ADRB2 P07550 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR5 P51681 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL1002024 0.86 SLC2A1 (0.38) KDM4EALDH1A1TDP1SLC2A1PARP1
Hydrochloric Acid SCHEMBL999343 0.84 SLC2A1 (0.40) KDM4EALDH1A1TDP1SLC2A1PARP1
SCHEMBL999111 0.83 TRPV3 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL6071818 0.83 S1PR3 (0.46) ALDH1A1SLC2A1PARP1S1PR3MAPT
SCHEMBL27428920 0.80 MMP13 (0.47) SLC2A1PARP1
SCHEMBL1363941 0.79 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL1000955 0.79 MEN1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL10081426 0.79 MEN1 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
Hydrochloric Acid SCHEMBL1000376 0.79 SLC2A1 (0.41) KDM4EALDH1A1TDP1SLC2A1PARP1
SCHEMBL12312596 0.79 CNR2 (0.44) KDM4ESLC2A1S1PR3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729271-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-05-20 US disclosed
EP-2617715-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-07-24 EP disclosed
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-07-18 US disclosed
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
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 (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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 CYP1A2 1151/4885CYP2D6 697/4885CYP2C9 496/4885
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 CYP1A2 975/4885CYP2D6 730/4885CYP2C9 540/4885

“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.