SCHEMBL17684352

SCHEMBL17684352

O=C(N[C@H](c1cccc(Cl)c1)C1(O)CCC(F)CC1)c1nccc(C(F)(F)F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.41
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 2/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
P2RX7 Q99572 2/20 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
SCHEMBL17684014 1.00 SLC6A9 (0.41) SLC6A9CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17684380 1.00 SLC6A9 (0.41) SLC6A9CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17684378 1.00 SLC6A9 (0.41) SLC6A9CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17735948 1.00 SLC6A9 (0.41) SLC6A9CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17684012 1.00 SLC6A9 (0.41) SLC6A9CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17684354 1.00 SLC6A9 (0.41) SLC6A9CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17735952 0.92 SLC6A9 (0.40) SLC6A9P2RX7
SCHEMBL17684440 0.92 SLC6A9 (0.40) SLC6A9P2RX7
SCHEMBL17684439 0.92 SLC6A9 (0.40) SLC6A9P2RX7
SCHEMBL17684407 0.91 SLC6A9 (0.50) SLC6A9P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-05-12 US disclosed
EP-3009421-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2016-04-20 EP 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-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR SLC1A2, SLC6A5, SLC18A2 SLC6A9 13/4885CYP3A4 1073/4885CYP2D6 786/4885

“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.