SCHEMBL5123741

SCHEMBL5123741

O=C(Nc1cccc(-c2ccncc2)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.58
CNR1 P21554 1/20 0.51
MGLL Q99685 1/20 0.44
GRIK1 P39086 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL206358 0.88 TRPV1 (0.58) TRPV1CNR1MGLL
SCHEMBL2734355 0.88 TRPV1 (0.61) TRPV1CNR1MGLL
SCHEMBL208537 0.87 TRPV1 (0.66) TRPV1MGLL
SCHEMBL2734510 0.87 TRPV1 (0.57) TRPV1CNR1MGLLGRIK1
SCHEMBL2734509 0.86 TRPV1 (0.64) TRPV1CNR1GRIK1KDM4E
SCHEMBL206493 0.86 TRPV1 (0.56) TRPV1MGLL
SCHEMBL2734357 0.85 TRPV1 (0.63) TRPV1CNR1GRIK1
SCHEMBL2733668 0.85 TRPV1 (0.61) TRPV1CNR1MGLL
SCHEMBL2734761 0.85 TRPV1 (0.58) TRPV1CNR1MGLL
SCHEMBL2733674 0.85 TRPV1 (0.55) TRPV1MGLLL3MBTL1

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 5 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
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
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 TRPV1 10/4885CNR1 18/4885MGLL 4480/4885

“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.