SCHEMBL5124522

SCHEMBL5124522

O=C(Nc1cccc(-c2ccccc2)c1)Nc1ncnc2c1CC(O)CC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
RET P07949 1/20 0.47
CNR1 P21554 7/20 0.46
DGAT1 O75907 1/20 0.42
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
CNR2 P34972 1/20 0.40
FAAH O00519 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL5129226 0.83 MGLL (0.50) MGLLRETCNR1DGAT1FAAH
SCHEMBL5130065 0.83 MGLL (0.50) MGLLCNR1DGAT1FAAHTRPV1
SCHEMBL5123680 0.77 MGLL (0.50) MGLLCNR1DGAT1TRPV1
SCHEMBL5116242 0.77 TRPV1 (0.63) RETKITKDRFLT3TRPV1
SCHEMBL5123741 0.71 TRPV1 (0.58) MGLLCNR1TRPV1
SCHEMBL2734510 0.70 TRPV1 (0.57) MGLLCNR1DGAT1TRPV1
SCHEMBL2734355 0.69 TRPV1 (0.61) MGLLCNR1TRPV1
SCHEMBL206358 0.69 TRPV1 (0.58) MGLLCNR1DGAT1TRPV1
SCHEMBL2734509 0.67 TRPV1 (0.64) CNR1TRPV1
SCHEMBL206493 0.67 TRPV1 (0.56) MGLLDGAT1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
EP-1678123-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-07-12 EP disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 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-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 MGLL 4480/4885RET 686/4885CNR1 18/4885

“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.