SCHEMBL5130065

SCHEMBL5130065

O=C(Nc1cccc(-c2ccccc2)c1)Nc1ccnc2c1CC(O)CC2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
TRPV1 Q8NER1 8/20 0.44
CNR1 P21554 4/20 0.44
GRIK1 P39086 1/20 0.43
POLB P06746 1/20 0.42
FAAH O00519 1/20 0.40
DGAT1 O75907 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
SCHEMBL5124522 0.83 MGLL (0.50) MGLLTRPV1CNR1POLBFAAH
SCHEMBL5129226 0.81 MGLL (0.50) MGLLTRPV1CNR1GRIK1FAAH
SCHEMBL5123741 0.79 TRPV1 (0.58) MGLLTRPV1CNR1GRIK1
SCHEMBL5123680 0.79 MGLL (0.50) MGLLTRPV1CNR1GRIK1DGAT1
SCHEMBL5974491 0.77 ACHE (0.40) TRPV1
SCHEMBL2734510 0.76 TRPV1 (0.57) MGLLTRPV1CNR1GRIK1DGAT1
SCHEMBL5139603 0.76 TRPV1 (0.70) TRPV1
SCHEMBL2734355 0.75 TRPV1 (0.61) MGLLTRPV1CNR1
SCHEMBL206358 0.75 TRPV1 (0.58) MGLLTRPV1CNR1DGAT1
SCHEMBL2734509 0.74 TRPV1 (0.64) TRPV1CNR1GRIK1

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 4480/4885TRPV1 10/4885CNR1 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.