SCHEMBL375149

SCHEMBL375149

c1ccc(-c2cccc(CNC3CCOCC3)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 6/20 0.58
▸ TGFBR1 P36897 2/20 0.54
▸ CARM1 Q86X55 2/20 0.51
▸ MTOR P42345 1/20 0.47
▸ PRKD1 Q15139 5/20 0.46
▸ PDCD1 Q15116 3/20 0.44
▸ CD274 Q9NZQ7 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PRKD3 O94806 1/20 0.42
▸ PRKD2 Q9BZL6 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42

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
SCHEMBL18129094 0.88 MAP4K4 (0.56) MAP4K4CARM1HRH3PRMT6
SCHEMBL18984688 0.88 MAP4K4 (0.56) MAP4K4CARM1HRH3PRMT6
SCHEMBL18129078 0.87 MAP4K4 (0.56) MAP4K4TGFBR1CARM1MTORHRH3
SCHEMBL18984649 0.83 MAP4K4 (0.59) MAP4K4CARM1PRMT6
SCHEMBL18129157 0.80 MAP4K4 (0.58) MAP4K4CARM1HRH3PRMT6
SCHEMBL3435422 0.79 MAP4K4 (0.57) MAP4K4TGFBR1CARM1MTORPRKD1
SCHEMBL23124608 0.76 MEN1 (0.61) TGFBR1HRH3
SCHEMBL375264 0.74 GRIN2B (0.62) CARM1HRH3PRMT6
SCHEMBL15536906 0.74 MAP4K4 (1.00) MAP4K4
SCHEMBL15587413 0.73 ACHE (0.60) MAP4K4CARM1MTORPDCD1CD274

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 4190/4885TGFBR1 533/4885CARM1 2663/4885

“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.

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