SCHEMBL382597

SCHEMBL382597

Ic1cccc(CNC2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 1/20 0.43
POLB P06746 1/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
GRIN2B Q13224 1/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
MTOR P42345 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
CXCR4 P61073 1/20 0.39
BCHE P06276 1/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
PRMT8 Q9NR22 1/20 0.39

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
SCHEMBL4177918 0.89 ALDH1A1 (0.51) ALDH1A1SIGMAR1POLBGRIN2BACHE
SCHEMBL17308302 0.81 ALDH1A1 (0.49) MAP4K4ALDH1A1PRMT5WDR77POLB
SCHEMBL28467365 0.81 CARM1 (0.56) MAP4K4ALDH1A1CARM1PRMT6
SCHEMBL375076 0.81 CARM1 (0.56) MAP4K4ALDH1A1PRMT5WDR77POLB
SCHEMBL15587413 0.81 ACHE (0.60) MAP4K4ALDH1A1PRMT5WDR77POLB
SCHEMBL379455 0.80 HRH3 (0.49) SIGMAR1POLBPDCD1CD274GRIN2B
SCHEMBL375264 0.80 GRIN2B (0.62) GRIN2BACHEBACE1OPRM1OPRK1
SCHEMBL375093 0.78 ALDH1A1 (0.76) ALDH1A1PRMT5WDR77PDCD1CD274
SCHEMBL375311 0.78 MAOA (0.53) MAP4K4ALDH1A1PRMT5WDR77PDCD1
SCHEMBL16217346 0.78 CARM1 (0.47) MAP4K4ALDH1A1PRMT5WDR77POLB

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 MAP4K4 4190/4885ALDH1A1 1730/4885SIGMAR1 414/4885

“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.