SCHEMBL375305

SCHEMBL375305

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.36
SLC6A5 Q9Y345 4/20 0.36
KCNH2 Q12809 6/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP2D6 P10635 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TACR1 P25103 2/20 0.32
PARP1 P09874 1/20 0.32
HDAC3 O15379 1/20 0.32
NSD2 O96028 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
SCHEMBL375116 0.91 KDM4E (0.40) SLC6A9SLC6A5KCNH2CYP3A4KDM4E
SCHEMBL2686649 0.90 AGER (0.41) SLC6A9SLC6A5KCNH2CYP3A4KDM4E
SCHEMBL375173 0.87 SLC6A9 (0.42) SLC6A9SLC6A5KCNH2CYP3A4ALDH1A1
SCHEMBL374833 0.85 SLC6A9 (0.39) SLC6A9SLC6A5KCNH2CYP3A4NSD2
SCHEMBL375110 0.84 SLC6A9 (0.53) SLC6A9SLC6A5KCNH2CYP3A4ALDH1A1
SCHEMBL375594 0.84 KCNH2 (0.39) SLC6A9SLC6A5KCNH2CYP3A4CYP2D6
SCHEMBL375183 0.82 SLC6A9 (0.40) SLC6A9SLC6A5KCNH2CYP3A4CYP2D6
SCHEMBL375145 0.82 SLC6A4 (0.49) KCNH2CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL375147 0.81 TACR1 (0.41) SLC6A9SLC6A5KCNH2TACR1
SCHEMBL375006 0.81 PDE4D (0.39) SLC6A9SLC6A5KCNH2ALDH1A1TSHR

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 6 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
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 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-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 (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-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 SLC6A9 7/4885SLC6A5 4/4885KCNH2 1435/4885
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 SLC6A9 8/4885SLC6A5 4/4885KCNH2 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.