SCHEMBL374840

SCHEMBL374840

O=C(c1nc[nH]n1)N(Cc1cccc(OC(F)F)c1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.41
SLC6A5 Q9Y345 6/20 0.41
MEP1B Q16820 1/20 0.41
KCNH2 Q12809 5/20 0.40
ROCK2 O75116 3/20 0.40
CYP2D6 P10635 5/20 0.39
CYP3A4 P08684 2/20 0.39
SLC2A1 P11166 1/20 0.39
TACR1 P25103 3/20 0.37
ROCK1 Q13464 2/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL375492 0.90 SLC6A9 (0.51) SLC6A9SLC6A5KCNH2ROCK2CYP2D6
SCHEMBL375772 0.88 P2RX3 (0.42) SLC6A9SLC6A5KCNH2ROCK2SLC2A1
SCHEMBL375006 0.87 PDE4D (0.39) SLC6A9SLC6A5KCNH2
SCHEMBL375095 0.85 TACR1 (0.43) SLC6A9SLC6A5KCNH2TACR1
SCHEMBL375083 0.84 TACR1 (0.46) SLC6A9SLC6A5KCNH2ROCK2SLC2A1
SCHEMBL1395302 0.84 TACR1 (0.37) SLC6A9SLC6A5KCNH2ROCK2SLC2A1
SCHEMBL375145 0.82 SLC6A4 (0.49) KCNH2CYP2D6CYP3A4
SCHEMBL374835 0.82 SLC6A2 (0.40) MEP1BKCNH2TACR1
SCHEMBL375116 0.81 KDM4E (0.40) SLC6A9SLC6A5KCNH2CYP2D6CYP3A4
SCHEMBL375594 0.80 KCNH2 (0.39) SLC6A9SLC6A5KCNH2ROCK2CYP2D6

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 8/4885SLC6A5 4/4885MEP1B 2473/4885

“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.