SCHEMBL13630728

SCHEMBL13630728

O=C(O)C1CCN(c2ccc(OC(F)(F)F)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.58
FFAR4 Q5NUL3 2/20 0.58
CHRM4 P08173 2/20 0.53
CHRM2 P08172 7/20 0.52
CHRM1 P11229 6/20 0.52
PDK2 Q15119 1/20 0.51
CHRM3 P20309 1/20 0.49

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
SCHEMBL12717115 0.82 FFAR4 (0.72) NOTUMFFAR4CHRM4CHRM2
SCHEMBL6498392 0.81 NOTUM (0.85) NOTUMFFAR4CHRM4CHRM2CHRM1
SCHEMBL2097055 0.80 CHRM4 (0.42) NOTUMFFAR4CHRM4CHRM2CHRM1
SCHEMBL18825785 0.80 CHRM2 (0.55) NOTUMFFAR4CHRM4CHRM2CHRM1
SCHEMBL12716971 0.79 NEK2 (0.54) NOTUMCHRM2CHRM1
SCHEMBL641081 0.78 FFAR4 (0.55) NOTUMFFAR4CHRM4CHRM2PDK2
SCHEMBL13896505 0.76 NOTUM (0.53) NOTUMFFAR4CHRM4PDK2
SCHEMBL16695371 0.74 NOTUM (0.74) NOTUMFFAR4CHRM4
SCHEMBL5799877 0.74 NOTUM (0.60) NOTUMFFAR4CHRM2PDK2
SCHEMBL2071701 0.74 NOTUM (0.83) NOTUMFFAR4CHRM2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 US disclosed
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 US disclosed
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives BAYER HEALTHCARE AG (DE) 2007-07-19 US disclosed
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives BAYER HEALTHCARE AG (DE) 2007-07-19 US 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-20070167458-A1 Tetrahydro-naphthalene and urea derivatives NQO2, UGT1A4, CYP4B1 NOTUM 3934/4885FFAR4 2554/4885CHRM4 1612/4885

“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.