SCHEMBL2256319

SCHEMBL2256319

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(CC2CCCO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.42
▸ SPR P35270 1/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R2 O00459 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PIK3R5 Q8WYR1 1/20 0.37
▸ PIK3R3 Q92569 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL3472538 0.87 RXRA (0.44) P2RX7SPRJAK1ALDH1A1JAK2
SCHEMBL2259076 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EPOLB
SCHEMBL2259576 0.83 CCR2 (0.48) DRD2DRD3PIK3CDPIK3R2PIK3CA
SCHEMBL2260490 0.82 DRD2 (0.44) DRD2DRD3CNR1CNR2
SCHEMBL2255840 0.82 DRD2 (0.44) DRD2DRD3CNR1CNR2HPGD
SCHEMBL2260917 0.80 IRAK4 (0.44) ALDH1A1DRD2DRD3MEN1KMT2A
SCHEMBL2259682 0.80 MAPT (0.45) ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2257039 0.79 TRPV1 (0.42) CNR1MEN1KMT2A
SCHEMBL2261010 0.79 HSD11B1 (0.44) ALDH1A1CNR1MEN1KMT2APOLB
SCHEMBL2258635 0.78 ALDH1A1 (0.47) ALDH1A1KDM4E

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 9 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
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 P2RX7 797/4885SPR 1868/4885JAK1 2668/4885

“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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