SCHEMBL375095

SCHEMBL375095

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.43
DCUN1D1 Q96GG9 3/20 0.42
P2RX7 Q99572 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
UBE2M P61081 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC6A9 P48067 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
GLS O94925 1/20 0.38

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 0.88 SLC6A9 (0.51) TACR1DCUN1D1UBE2MSLC6A9KCNH2
SCHEMBL1395302 0.86 TACR1 (0.37) TACR1SLC6A9KCNH2SLC6A5
SCHEMBL375083 0.86 TACR1 (0.46) TACR1SLC6A2SLC6A4SLC6A9KCNH2
SCHEMBL374840 0.85 SLC6A9 (0.41) TACR1SLC6A9KCNH2SLC6A5
SCHEMBL374835 0.83 SLC6A2 (0.40) TACR1DCUN1D1MAPK1SLC6A2SLC6A4
SCHEMBL375772 0.83 P2RX3 (0.42) TACR1HTTALDH1A1SLC6A9KCNH2
SCHEMBL375145 0.82 SLC6A4 (0.49) SLC6A2SLC6A4KCNH2
SCHEMBL375594 0.82 KCNH2 (0.39) TACR1SLC6A2SLC6A4SLC6A9KCNH2
SCHEMBL375242 0.81 GCGR (0.41) DCUN1D1UBE2MSLC6A9KCNH2SLC6A5
SCHEMBL375557 0.81 SLC6A9 (0.45) RAB9ASLC6A9KCNH2

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 158/4885DCUN1D1 3209/4885P2RX7 3738/4885

“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.