SCHEMBL375541

SCHEMBL375541

O=C(c1nc[nH]n1)N(Cc1cc(Cl)cc(OC(F)(F)F)c1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.38
SLC6A9 P48067 8/20 0.37
KCNH2 Q12809 7/20 0.37
SLC6A5 Q9Y345 7/20 0.37
ENPP2 Q13822 1/20 0.36
ATXN2 Q99700 1/20 0.36
CYP2D6 P10635 5/20 0.36
FFAR4 Q5NUL3 3/20 0.35
CYP3A4 P08684 2/20 0.34
NOTUM Q6P988 1/20 0.33
NTRK1 P04629 1/20 0.33
DDR1 Q08345 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
SCHEMBL375147 0.88 TACR1 (0.41) TACR1SLC6A9KCNH2SLC6A5ENPP2
SCHEMBL375492 0.86 SLC6A9 (0.51) TACR1SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375242 0.86 GCGR (0.41) SLC6A9KCNH2SLC6A5CYP2D6NTRK1
SCHEMBL375432 0.83 EPHX1 (0.39) TACR1SLC6A9KCNH2SLC6A5ENPP2
SCHEMBL380007 0.83 SLC6A9 (0.36) SLC6A9KCNH2SLC6A5CYP2D6FFAR4
SCHEMBL375594 0.79 KCNH2 (0.39) TACR1SLC6A9KCNH2SLC6A5ENPP2
SCHEMBL375116 0.78 KDM4E (0.40) TACR1SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375095 0.77 TACR1 (0.43) TACR1SLC6A9KCNH2SLC6A5
SCHEMBL374840 0.76 SLC6A9 (0.41) TACR1SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375305 0.76 SLC6A9 (0.36) TACR1SLC6A9KCNH2SLC6A5CYP2D6

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 TACR1 158/4885SLC6A9 8/4885KCNH2 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.