SCHEMBL2257006

SCHEMBL2257006

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(CCc2cccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.42
▸ DRD2 P14416 4/20 0.42
▸ DRD3 P35462 4/20 0.42
▸ ADAM10 O14672 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ THRB P10828 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NR3C2 P08235 1/20 0.36
▸ MC4R P32245 1/20 0.36

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
SCHEMBL3471314 0.87 RXRA (0.45) KCNA5DRD2DRD3ADAM10MMP12
SCHEMBL2260490 0.85 DRD2 (0.44) DRD2DRD3THRBHTR2ANR3C2
SCHEMBL2255840 0.84 DRD2 (0.44) DRD2DRD3HTR2AHPGD
SCHEMBL2258978 0.84 DRD2 (0.44) KCNA5DRD2DRD3HTR2A
SCHEMBL2257730 0.83 THRB (0.59) DRD2DRD3THRBHTR2A
SCHEMBL2258635 0.81 ALDH1A1 (0.47) KDM4EALDH1A1
SCHEMBL2259510 0.80 RXRA (0.42) DRD2DRD3HTR2AMAPT
SCHEMBL2257175 0.80 KMT2A (0.52) HTTNPSR1HPGD
SCHEMBL2260917 0.79 IRAK4 (0.44) DRD2DRD3NPSR1KDM4EALDH1A1
SCHEMBL2257931 0.79 NPC1 (0.48) DRD2DRD3ADAM10MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNA5 1514/4885DRD2 1486/4885DRD3 1389/4885

“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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