Sugi Predict

Sugi Predict / Compounds / SCHEMBL7124865

SCHEMBL7124865

SCHEMBL7124865

COc1cc(C(=O)[C@@H](Cc2ccccc2)CN(C)C)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LPAR1 Q92633 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TUBB1 Q9H4B7 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TNFRSF1A P19438 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ CHRM2 P08172 1/20 0.43

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
SCHEMBL7124861 1.00 MAPK1 (0.50) MAPK1L3MBTL1LPAR1ALDH1A1HTT
Hydrochloric Acid SCHEMBL7164362 0.99 HTT (0.50) MAPK1L3MBTL1LPAR1ALDH1A1HTT
Hydrochloric Acid SCHEMBL7164363 0.99 HTT (0.50) MAPK1L3MBTL1LPAR1ALDH1A1HTT
SCHEMBL7113939 0.85 HTT (0.50) MAPK1LPAR1HTTNPC1MAPT
SCHEMBL7113932 0.85 HTT (0.50) MAPK1LPAR1HTTNPC1MAPT
Hydrochloric Acid SCHEMBL7164403 0.84 HTT (0.52) MAPK1LPAR1HTTNPC1MAPT
Hydrochloric Acid SCHEMBL7164398 0.84 HTT (0.52) MAPK1LPAR1HTTNPC1MAPT
SCHEMBL7117575 0.82 PKM (0.48) MAPK1L3MBTL1ALDH1A1HTTNPC1
SCHEMBL7117569 0.82 PKM (0.48) MAPK1L3MBTL1ALDH1A1HTTNPC1
SCHEMBL7164762 0.81 NPC1 (0.50) MAPK1ALDH1A1HTTNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653508-B2 Use treating various medical conditions, including pain GRUENENTHAL GMBH (DE) 2003-11-25 — — US claimed
JP-2003505358-A — — 2003-02-12 — — JP claimed
US-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives GRUENTENTHAL GMBH (DE) 2002-10-31 — — US claimed
EP-1196373-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2002-04-17 — — EP claimed
WO-2001005743-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2001-01-25 — — WO claimed
US-6653508-B2 Use treating various medical conditions, including pain GRUENENTHAL GMBH (DE) 2003-11-25 — — US disclosed
US-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives GRUENTENTHAL GMBH (DE) 2002-10-31 — — US disclosed
EP-1196373-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2002-04-17 — — EP disclosed
WO-2001005743-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2001-01-25 — — 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-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives PYGL, CYP11B2, GOT2 MAPK1 4019/4885L3MBTL1 4393/4885LPAR1 1270/4885

“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.