SCHEMBL2529268

SCHEMBL2529268

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ DHFR P00374 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL2533094 0.81 TRPV1 (0.40) TRPV1ATMALDH1A1GAACA1
SCHEMBL26921623 0.79 ALDH1A1 (0.49) ALDH1A1GAANOS3NOS1HTR2C
SCHEMBL4623834 0.78 HTR2A (0.45) ATMGAACA1CA2CA9
SCHEMBL2532394 0.78 TRPV1 (0.42) TRPV1CA1CA2CA9TLR8
SCHEMBL20347941 0.78 TRPV1 (0.44) TRPV1ATMALDH1A1GAADHFR
SCHEMBL2526599 0.77 TRPV1 (0.43) TRPV1GAACA1CA2CA9
SCHEMBL11438484 0.75 L3MBTL1 (0.47) TRPV1ATMALDH1A1GAADHFR
SCHEMBL20347962 0.74 ALDH1A1 (0.44) TRPV1ATMALDH1A1GAADHFR
SCHEMBL2532442 0.74 XDH (0.44) —
SCHEMBL14009301 0.73 HTR2C (0.49) ALDH1A1GAANOS3NOS1HTR2C

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 1/4885ATM 4781/4885ALDH1A1 2444/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 TRPV1 1/4885ATM 4781/4885ALDH1A1 2444/4885

“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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