SCHEMBL1573476

SCHEMBL1573476

O=C(O)C1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.57
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
IDH2 P48735 1/20 0.52
FFAR2 O15552 3/20 0.52
POLB P06746 1/20 0.51
SERPINE1 P05121 3/20 0.51

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
SCHEMBL13893331 0.89 NOTUM (0.54) NOTUMCYP2C9CYP2C19FFAR2POLB
SCHEMBL5802557 0.84 SERPINE1 (0.60) NOTUMCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL18700734 0.83 FFAR4 (0.61) NOTUMCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL17305261 0.83 NOTUM (0.57) NOTUMCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL12644303 0.83 FFAR2 (0.62) NOTUMCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL2073585 0.81 NOTUM (0.61) NOTUM
SCHEMBL18701232 0.81 NOTUM (0.54) NOTUMCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL2072056 0.81 NOTUM (0.83) NOTUMMAPT
SCHEMBL2039548 0.81 MAPT (0.80) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL29788183 0.81 MAPT (0.80) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048132-B1 Tetrahydro-naphthalene and urea derivatives XENTION LTD (GB) 2011-04-13 EP disclosed
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-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 US disclosed
EP-2048132-A1 Tetrahydro-naphthalene and urea derivatives Xention Limited (GB) 2009-04-15 EP disclosed
EP-2048132-A1 Tetrahydro-naphthalene and urea derivatives Xention Limited (GB) 2009-04-15 EP disclosed
EP-1670761-B1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES XENTION LTD (GB) 2009-01-28 EP disclosed
EP-1670761-B1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES XENTION LTD (GB) 2009-01-28 EP 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
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 3934/4885CYP2C9 91/4885CYP2C19 205/4885

“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.