SCHEMBL17684036

SCHEMBL17684036

O=C(N[C@H](c1cccc(Br)c1)C1(O)CCCC1)c1nccc(C(F)(F)F)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.49
PDE2A O00408 1/20 0.35
MAPK1 P28482 2/20 0.33
CNR1 P21554 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL17683977 1.00 SLC6A9 (0.49) SLC6A9PDE2AMAPK1CNR1P2RX7
SCHEMBL17684305 1.00 SLC6A9 (0.49) SLC6A9PDE2AMAPK1CNR1P2RX7
SCHEMBL17684552 0.99 SLC6A9 (0.48) SLC6A9PDE2AMAPK1CNR1P2RX7
SCHEMBL17684376 0.93 SLC6A9 (0.47) SLC6A9PDE2ACNR1P2RX7
SCHEMBL17684198 0.91 SLC6A9 (0.50) SLC6A9PDE2AP2RX7
SCHEMBL17684041 0.91 SLC6A9 (0.50) SLC6A9PDE2AP2RX7
SCHEMBL17684038 0.91 SLC6A9 (0.50) SLC6A9PDE2AP2RX7
SCHEMBL17684407 0.91 SLC6A9 (0.50) SLC6A9PDE2AP2RX7
SCHEMBL17684200 0.91 SLC6A9 (0.50) SLC6A9PDE2AP2RX7
SCHEMBL17684631 0.91 SLC6A9 (0.50) SLC6A9PDE2AP2RX7

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 4 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
US-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-05-12 US disclosed
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 13/4885PDE2A 2475/4885MAPK1 3461/4885

“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.