Sugi Predict

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SCHEMBL3257622

SCHEMBL3257622

COc1ccc(C(=O)NC(c2ccccc2)C2(N(C)C)CCCC2)c2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SLC6A9 P48067 2/20 0.37
▸ KCNA3 P22001 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ SLC6A5 Q9Y345 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ROCK2 O75116 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
SCHEMBL13304644 0.89 KCNA3 (0.32) ALDH1A1HPGDKCNA3KMT2AMEN1
SCHEMBL4357362 0.86 PLK1 (0.50) ALDH1A1HPGDSLC6A9PLK1KMT2A
SCHEMBL8263151 0.83 SLC6A9 (0.43) ALDH1A1HPGDSLC6A9KMT2ASLC6A5
SCHEMBL3237710 0.82 ALDH1A1 (0.42) ALDH1A1HPGDSLC6A9KMT2AMEN1
SCHEMBL3238270 0.81 ALDH1A1 (0.57) ALDH1A1HPGDSLC6A9KCNA3KMT2A
SCHEMBL3255158 0.81 SLC6A9 (0.37) ALDH1A1HPGDSLC6A9KMT2ALMNA
SCHEMBL3236119 0.78 NR1H4 (0.45) ALDH1A1HPGDSLC6A9KMT2AMEN1
SCHEMBL3239737 0.78 POLB (0.47) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL3237145 0.78 AVPR2 (0.43) ALDH1A1HPGDSLC6A9KMT2AMEN1
SCHEMBL3238721 0.78 ALDH1A1 (0.46) ALDH1A1HPGDSLC6A9KCNA3KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED 2010-06-03 — — US disclosed
US-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED 2010-06-03 — — US disclosed
US-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED 2010-06-03 — — US disclosed
EP-1833811-B1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LTD (GB) 2010-06-02 — — EP disclosed
WO-2006067437-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-29 — — WO 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-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS SLC18A2, SLC1A2, SLC6A3 ALDH1A1 483/4885HPGD 199/4885SLC6A9 37/4885

“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.