SCHEMBL12930802

SCHEMBL12930802

CCOC(=O)C(C)c1cccc2c(C)nccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NLRP3 Q96P20 3/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL298816 0.82 CYP2A6 (0.40) TSHRSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL27876362 0.81 SMN1; SMN2 (0.44) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL12930804 0.80 TSHR (0.43) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL12930787 0.78 TSHR (0.44) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL25156303 0.78 KMT2A (0.52) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL15203285 0.78 KMT2A (0.52) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL31360448 0.78 KMT2A (0.52) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL4023300 0.77 TRPV1 (0.46) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL11054382 0.76 TSHR (0.50) TSHRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL18379246 0.75 CYP2A6 (0.47) TSHRLMNAKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 TSHR 770/4885SMN1; SMN2 4593/4885LMNA 3573/4885

“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.