SCHEMBL2256207

SCHEMBL2256207

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCCC1Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.45
HCRTR2 O43614 8/20 0.45
CYP3A4 P08684 3/20 0.45
FABP4 P15090 1/20 0.44
TRPV1 Q8NER1 5/20 0.40
SCD5 Q86SK9 2/20 0.40
F2 P00734 2/20 0.38
CARM1 Q86X55 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL3472172 0.87 RXRA (0.46) HCRTR1HCRTR2CYP3A4FABP4SCD5
SCHEMBL2260753 0.83 CNR1 (0.43) TRPV1
SCHEMBL3471998 0.79 RXRA (0.47) HCRTR1HCRTR2CYP3A4
SCHEMBL2256415 0.77 PDK2 (0.46)
SCHEMBL3474693 0.76 RXRA (0.46) HCRTR1HCRTR2CYP3A4SCD5
SCHEMBL2259079 0.75 ROCK2 (0.46) SCD5
SCHEMBL3473375 0.75 RXRA (0.47) TRPV1SCD5
SCHEMBL12361716 0.74 MEN1 (0.46)
SCHEMBL2256210 0.74 HSP90AA1 (0.49) HCRTR1HCRTR2SCD5
SCHEMBL2260690 0.74 CNR1 (0.44) SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 HCRTR1 629/4885HCRTR2 528/4885CYP3A4 161/4885

“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.