SCHEMBL1715593

SCHEMBL1715593

CN1CC(O)Cc2c(NC(=O)Nc3cccc(-c4ccccc4)c3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
CNR1 P21554 4/20 0.44
MAPK14 Q16539 1/20 0.44
GRIK1 P39086 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CCKBR P32239 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
POLB P06746 1/20 0.43
DDX3X O00571 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASR P41180 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1723394 0.87 NPC1 (0.50) CCKBRMEN1KMT2AGAAMAPT
SCHEMBL1716149 0.81 MAPT (0.46) CNR1KDM4EMEN1KMT2AGAA
SCHEMBL1715876 0.80 TRPV1 (0.52) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL12459925 0.79 GAA (0.40) KDM4EKMT2AGAAMAPT
SCHEMBL1715545 0.78 TRPV1 (0.66)
SCHEMBL1716188 0.76 CCR3 (0.37) MAPT
SCHEMBL206358 0.72 TRPV1 (0.58) MGLLCNR1
SCHEMBL5130065 0.72 MGLL (0.50) MGLLCNR1GRIK1POLB
SCHEMBL2734510 0.71 TRPV1 (0.57) MGLLCNR1GRIK1
SCHEMBL206493 0.70 TRPV1 (0.56) MGLLMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685112-B1 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VR1 ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP claimed
JP-2007523888-A 2007-08-23 JP claimed
EP-1685112-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2006-08-02 EP claimed
WO-2005044802-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VRL ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-05-19 WO claimed
EP-1685112-B1 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VR1 ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-7683076-B2 Tetrahydro-quinolinylurea derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
EP-1685112-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2006-08-02 EP disclosed
WO-2005044802-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VRL ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-05-19 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-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, HVCN1 MGLL 4496/4885CNR1 64/4885MAPK14 4141/4885

“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.