SCHEMBL375557

SCHEMBL375557

O=C(c1nc[nH]n1)N(Cc1cccc(-c2ccccn2)c1)C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.45
FFAR1 O14842 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TGFBR1 P36897 1/20 0.38
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
LRRK2 Q5S007 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
RAB9A P51151 1/20 0.36
CETP P11597 1/20 0.35
ROCK2 O75116 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
SCHEMBL1395302 0.83 TACR1 (0.37) SLC6A9KCNH2ROCK2
SCHEMBL375083 0.83 TACR1 (0.46) SLC6A9KCNH2ROCK2
SCHEMBL375772 0.82 P2RX3 (0.42) SLC6A9KCNH2ROCK2
SCHEMBL15104512 0.82 SLC6A9 (0.44) SLC6A9KCNH2MCHR1TGFBR1SCN9A
SCHEMBL375095 0.81 TACR1 (0.43) SLC6A9KCNH2RAB9A
SCHEMBL375145 0.81 SLC6A4 (0.49) KCNH2
SCHEMBL374835 0.80 SLC6A2 (0.40) KCNH2MAPKAPK2
SCHEMBL374840 0.80 SLC6A9 (0.41) SLC6A9KCNH2ROCK2
SCHEMBL375492 0.79 SLC6A9 (0.51) SLC6A9KCNH2CETPROCK2
SCHEMBL375594 0.79 KCNH2 (0.39) SLC6A9KCNH2ROCK2

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 SLC6A9 8/4885FFAR1 1595/4885KCNH2 1870/4885

“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.