SCHEMBL375594

SCHEMBL375594

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ENPP2 Q13822 1/20 0.36
TACR1 P25103 3/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A9 P48067 2/20 0.36
SLC6A5 Q9Y345 2/20 0.36
CCR2 P41597 2/20 0.34
CCR5 P51681 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EZH2 Q15910 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL375432 0.88 EPHX1 (0.39) KCNH2CYP3A4CYP2D6ENPP2TACR1
SCHEMBL375147 0.87 TACR1 (0.41) KCNH2SLC6A2SLC6A4SLC6A3ENPP2
SCHEMBL375116 0.86 KDM4E (0.40) KCNH2CYP3A4CYP2D6TACR1SLC6A9
SCHEMBL375145 0.85 SLC6A4 (0.49) KCNH2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL375305 0.84 SLC6A9 (0.36) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL375083 0.83 TACR1 (0.46) KCNH2SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL1395302 0.83 TACR1 (0.37) KCNH2TACR1SLC6A9SLC6A5ROCK2
SCHEMBL375006 0.82 PDE4D (0.39) KCNH2KMT2ASLC6A9SLC6A5
SCHEMBL375173 0.82 SLC6A9 (0.42) KCNH2CYP3A4KMT2ASLC6A9SLC6A5
SCHEMBL375095 0.82 TACR1 (0.43) KCNH2SLC6A2SLC6A4TACR1SLC6A9

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 KCNH2 1870/4885SLC6A2 7/4885SLC6A4 11/4885

“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.