SCHEMBL5129065

SCHEMBL5129065

Nc1cccc2c1CC(CO)CC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40
SLC18A3 Q16572 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CD44 P16070 1/20 0.38

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
SCHEMBL30047214 0.84 SLC18A3 (0.41) NPY1RNPY5RSLC18A3CD44
SCHEMBL23857105 0.84 SLC18A3 (0.41) NPY1RNPY5RSLC18A3CD44
SCHEMBL14116527 0.81 PNMT (0.41) TRPV1CHRM2CHRM1CHRM3
SCHEMBL8132467 0.78 CHRM2 (0.60) CHRM2CHRM1CHRM3
Alcohol SCHEMBL2321849 0.78 HTR1A (0.43)
SCHEMBL205316 0.77 SLC18A3 (0.44) TRPV1SLC18A3CHRM2CHRM1CHRM3
SCHEMBL287422 0.77 SLC18A3 (0.44) TRPV1SLC18A3CHRM2CHRM1CHRM3
SCHEMBL299965 0.77 SLC18A3 (0.44) TRPV1SLC18A3CHRM2CHRM1CHRM3
Bromide SCHEMBL23045102 0.76 SLC18A3 (0.43) TRPV1SLC18A3CHRM2CHRM1CHRM3
Bromide SCHEMBL23045101 0.76 SLC18A3 (0.43) TRPV1SLC18A3CHRM2CHRM1CHRM3

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 10/4885NPY1R 459/4885NPY5R 1629/4885

“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.