SCHEMBL2533094

SCHEMBL2533094

CC(C)(C)COc1cc(C(C)(C)C)ccc1CN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL4623834 0.81 HTR2A (0.45) CA1CA2CA9CYP2C19CYP1A2
SCHEMBL2529268 0.81 TRPV1 (0.43) TRPV1CA1CA2CA9CYP2C19
SCHEMBL2532394 0.81 TRPV1 (0.42) TRPV1CA1CA2CA9CYP2C19
SCHEMBL2526599 0.80 TRPV1 (0.43) TRPV1CA1CA2CA9KDM4E
SCHEMBL26476579 0.76 CYP2C19 (0.46) TRPV1CA1CA2CA9CYP2C19
SCHEMBL20206789 0.76 TRPV1 (0.41) TRPV1CA1CA2CA9CYP2C19
SCHEMBL22888654 0.74 RIPK1 (0.45) CA1CA2CA9CYP2C19CYP1A2
SCHEMBL20347961 0.72 ALOX5AP (0.42) TRPV1CA1CA2CA9CYP2C19
SCHEMBL12049340 0.72 HTR1D (0.46) CA1CA2CA9CYP2C19CYP1A2
SCHEMBL2527231 0.72 XDH (0.42) MAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 — — US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 — — US disclosed
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 — — EP disclosed
EP-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 — — EP disclosed
US-8038010-B1 Single piece edge protector for curved objects ILLINOIS TOOL WORKS INC. (US) 2011-10-18 — — US disclosed
EP-1940821-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-07-09 — — EP disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 — — US disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 — — 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 (2 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-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 TRPV1 1/4885CA1 4404/4885CA2 2121/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 TRPV1 1/4885CA1 4404/4885CA2 2121/4885

“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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