SCHEMBL2257730

SCHEMBL2257730

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.59
▸ TP53 P04637 4/20 0.51
▸ LMNA P02545 1/20 0.45
▸ DRD2 P14416 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL2258997 0.91 ALDH1A1 (0.48) THRB
SCHEMBL2260490 0.86 DRD2 (0.44) THRBDRD2HTR2ADRD3
SCHEMBL2255840 0.85 DRD2 (0.44) DRD2HTR2ADRD3
SCHEMBL2259313 0.84 TP53 (0.61) THRBTP53LMNADRD2DRD3
SCHEMBL2257006 0.83 KCNA5 (0.42) THRBDRD2HTR2ADRD3
SCHEMBL2258978 0.83 DRD2 (0.44) DRD2HTR2ADRD3
SCHEMBL2260184 0.82 KDM4E (0.55) —
SCHEMBL2256062 0.82 MEN1 (0.52) LMNA
SCHEMBL2258635 0.81 ALDH1A1 (0.47) —
SCHEMBL2259510 0.81 RXRA (0.42) DRD2HTR2ADRD3

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 THRB 462/4885TP53 4361/4885LMNA 2267/4885

“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.

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