SCHEMBL846211

SCHEMBL846211

COC(=O)C=Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
TYR P14679 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
TRPV1 Q8NER1 8/20 0.58
PTPN1 P18031 1/20 0.57
TTR P02766 1/20 0.56
APP P05067 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL846210 1.00 CYP1A2 (0.68) CYP1A2CA12CA1CA2TYR
SCHEMBL2775836 0.91 CYP1A2 (0.57) CYP1A2CA12CA1CA2TYR
SCHEMBL2775832 0.91 CYP1A2 (0.57) CYP1A2CA12CA1CA2TYR
SCHEMBL9593699 0.88 CYP1A2 (0.57) CYP1A2CA12CA1CA2TYR
SCHEMBL5057418 0.87 CA12 (0.84) CYP1A2CA12CA1CA2TYR
SCHEMBL71224 0.87 CA12 (0.84) CYP1A2CA12CA1CA2TYR
SCHEMBL28867949 0.86 CYP1A2 (0.68) CYP1A2CA12CA1CA2TYR
SCHEMBL27746198 0.85 CA12 (0.60) CYP1A2CA12CA1CA2TYR
SCHEMBL23082317 0.84 TRPV1 (0.67) CYP1A2TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL1797240 0.84 CYP1A2 (0.66) CYP1A2CA12CA1CA2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
EP-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO disclosed
CN-1144797-C Polycyclic thiazolidin-2-ylidene amines, method for production and use thereof as medicaments ���ĵ�˹ҩ��¹����޹�˾ 2004-04-07 CN disclosed
CN-1309653-A Polycyclic thiazolidin-2-ylidene amines, method for production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2001-08-22 CN disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 CYP1A2 905/4885CA12 4673/4885CA1 3260/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 CYP1A2 905/4885CA12 4673/4885CA1 3260/4885

“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.