SCHEMBL375432

SCHEMBL375432

O=C(c1nc[nH]n1)N(Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
KDM4A O75164 2/20 0.38
KDM5A P29375 2/20 0.38
ENPP2 Q13822 1/20 0.37
SLC6A9 P48067 5/20 0.35
SLC6A5 Q9Y345 5/20 0.35
KCNH2 Q12809 4/20 0.35
TACR1 P25103 1/20 0.35
NOTUM Q6P988 1/20 0.34
CYP2D6 P10635 3/20 0.34
GRM2 Q14416 1/20 0.33
KCNN4 O15554 1/20 0.33
HTR2A P28223 2/20 0.33
PDE3A Q14432 1/20 0.33
NTRK1 P04629 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL375594 0.88 KCNH2 (0.39) ENPP2SLC6A9SLC6A5KCNH2TACR1
SCHEMBL375242 0.85 GCGR (0.41) SLC6A9SLC6A5KCNH2CYP2D6NTRK1
SCHEMBL375492 0.84 SLC6A9 (0.51) SLC6A9SLC6A5KCNH2TACR1CYP2D6
SCHEMBL375541 0.83 TACR1 (0.38) ENPP2SLC6A9SLC6A5KCNH2TACR1
SCHEMBL375116 0.81 KDM4E (0.40) SLC6A9SLC6A5KCNH2TACR1CYP2D6
SCHEMBL375173 0.81 SLC6A9 (0.42) SLC6A9SLC6A5KCNH2CYP3A4
SCHEMBL375006 0.81 PDE4D (0.39) SLC6A9SLC6A5KCNH2HTR2A
SCHEMBL375095 0.81 TACR1 (0.43) SLC6A9SLC6A5KCNH2TACR1
SCHEMBL375147 0.80 TACR1 (0.41) ENPP2SLC6A9SLC6A5KCNH2TACR1
SCHEMBL374833 0.79 SLC6A9 (0.39) SLC6A9SLC6A5KCNH2GRM2CYP3A4

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 3 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
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

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 EPHX1 3353/4885KDM4A 4394/4885KDM5A 4480/4885

“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.