SCHEMBL7116370

SCHEMBL7116370

CN(C)C[C@H](Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ SLC2A4 P14672 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL7116367 1.00 MAPT (0.43) MAPTNPC1RAB9AMAPK1HTT
Hydrochloric Acid SCHEMBL7164469 0.99 HTT (0.45) MAPTNPC1RAB9AMAPK1HTT
Hydrochloric Acid SCHEMBL7164464 0.99 HTT (0.45) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL7122941 0.88 NPC1 (0.45) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL7122947 0.88 NPC1 (0.45) MAPTNPC1RAB9AMAPK1HTT
Hydrochloric Acid SCHEMBL7169681 0.87 HTT (0.47) MAPTNPC1RAB9AMAPK1HTT
Hydrochloric Acid SCHEMBL7169684 0.87 HTT (0.47) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL7116851 0.85 HTT (0.44) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL7116856 0.85 HTT (0.44) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL7116844 0.84 NPC1 (0.44) MAPTNPC1RAB9AMAPK1HTT

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 MAPT 1038/4885NPC1 11/4885RAB9A 1573/4885

“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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