SCHEMBL2198662

SCHEMBL2198662

Cc1ccccc1-c1ccc2c(NCc3ccncc3)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.47
CYP2D6 P10635 7/20 0.47
CYP2C19 P33261 7/20 0.47
TSHR P16473 6/20 0.47
ALDH1A1 P00352 5/20 0.47
CLK4 Q9HAZ1 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP2C9 P11712 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 2/20 0.47
TP53 P04637 1/20 0.47
EPHX2 P34913 6/20 0.46
ADRA2C P18825 2/20 0.45
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 6/20 0.43
ALOX15 P16050 4/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2197577 0.88 CYP3A4 (0.62) CYP3A4CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL2198139 0.85 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL2194246 0.85 EPHX2 (0.42) CYP3A4CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL2196171 0.84 EPHX2 (0.50) CYP3A4CYP2D6CYP2C19ALDH1A1CLK4
SCHEMBL2196713 0.84 BRD4 (0.46) CYP3A4CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL2196718 0.83 TSHR (0.44) CYP3A4CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL13146629 0.80 EPHX2 (0.47) EPHX2ADRA2CPOLBL3MBTL1SMN1; SMN2
SCHEMBL2198322 0.79 EPHX2 (0.48) ALDH1A1LMNAEPHX2POLBMAPT
SCHEMBL2196960 0.77 CYP1A2 (0.60) CYP3A4CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL2198123 0.77 HPGD (0.54) CYP3A4CYP2D6CYP2C19TSHRALDH1A1

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
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
EP-1888541-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122799-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2006-11-23 WO claimed
US-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 US disclosed
EP-1888541-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122799-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2006-11-23 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-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPV5 CYP3A4 716/4885CYP2D6 1223/4885CYP2C19 1078/4885

“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.