SCHEMBL374835

SCHEMBL374835

N#Cc1cccc(CN(C(=O)c2nc[nH]n2)C2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
MAPKAPK2 P49137 1/20 0.39
VNN1 O95497 1/20 0.39
NSD2 O96028 3/20 0.39
NSD3 Q9BZ95 1/20 0.39
PDE2A O00408 1/20 0.38
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TACR1 P25103 2/20 0.38
KCNH2 Q12809 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1C Q14123 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL1395302 0.85 TACR1 (0.37) TACR1KCNH2
SCHEMBL375083 0.85 TACR1 (0.46) SLC6A2SLC6A4SLC6A3PDE2ATACR1
SCHEMBL375095 0.83 TACR1 (0.43) SLC6A2SLC6A4TACR1KCNH2DCUN1D1
SCHEMBL375772 0.83 P2RX3 (0.42) TACR1KCNH2
SCHEMBL374840 0.82 SLC6A9 (0.41) MEP1BTACR1KCNH2
SCHEMBL375145 0.81 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL375492 0.81 SLC6A9 (0.51) TRPM8TACR1KCNH2DCUN1D1
SCHEMBL375594 0.81 KCNH2 (0.39) SLC6A2SLC6A4SLC6A3TACR1KCNH2
SCHEMBL375557 0.80 SLC6A9 (0.45) MAPKAPK2KCNH2
SCHEMBL375147 0.79 TACR1 (0.41) SLC6A2SLC6A4SLC6A3MAPKAPK2TACR1

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 SLC6A2 7/4885SLC6A4 11/4885SLC6A3 9/4885

“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.