SCHEMBL374972

SCHEMBL374972

Cn1cnc(C(=O)N(Cc2ccc(F)c(-c3cccc(CO)c3)c2)C2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.40
KCNH2 Q12809 6/20 0.40
SLC6A5 Q9Y345 4/20 0.40
PIK3CA P42336 2/20 0.38
ABL1 P00519 1/20 0.36
CYP3A4 P08684 2/20 0.36
CHRM3 P20309 2/20 0.35
CYP2D6 P10635 1/20 0.35
OPRM1 P35372 2/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
WDR5 P61964 2/20 0.34
PIK3CB P42338 1/20 0.34
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL4545282 0.92 SLC6A9 (0.39) SLC6A9KCNH2SLC6A5ABL1CYP3A4
SCHEMBL375299 0.88 CSF1R (0.38) SLC6A9KCNH2SLC6A5CYP3A4CHRM3
SCHEMBL15116033 0.83 PIK3CA (0.38) SLC6A9KCNH2SLC6A5PIK3CACYP3A4
SCHEMBL15104501 0.82 SLC6A9 (0.41) SLC6A9KCNH2SLC6A5CYP3A4
SCHEMBL15104641 0.82 SLC6A9 (0.40) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15116036 0.81 SLC6A9 (0.36) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15104512 0.81 SLC6A9 (0.44) SLC6A9KCNH2SLC6A5OPRM1
SCHEMBL15104565 0.81 GPBAR1 (0.42) SLC6A9KCNH2SLC6A5ATMATR
SCHEMBL1053472 0.81 MGLL (0.37) ABL1CHRM3WDR5
SCHEMBL1000046 0.80 SLC6A9 (0.58) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
EP-2409976-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2012-01-25 EP disclosed
EP-2409976-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2012-01-25 EP disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 SLC6A9 8/4885KCNH2 1870/4885SLC6A5 4/4885

“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.