SCHEMBL2259599

SCHEMBL2259599

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ HTT P42858 4/20 0.48
▸ CCR1 P32246 5/20 0.47
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL2258054 0.91 MAPT (0.52) HTTCCR1MAPTLMNAMEN1
SCHEMBL2258205 0.91 HTT (0.50) HTTCCR1MAPTLMNAMEN1
SCHEMBL2259046 0.91 MAPT (0.47) HTTCCR1MAPTLMNAMEN1
SCHEMBL2255234 0.90 HTT (0.49) HTTCCR1MAPTLMNAMEN1
SCHEMBL2257016 0.90 MAPT (0.60) HTTMAPTLMNAMEN1TSHR
SCHEMBL2256497 0.89 KMT2A (0.55) HTTCCR1MAPTLMNAMEN1
SCHEMBL2255578 0.87 GAA (0.56) HTTMAPTLMNARAB9AMEN1
SCHEMBL2261419 0.87 MEN1 (0.61) HTTMAPTLMNAMEN1TSHR
SCHEMBL2257410 0.87 MEN1 (0.48) HTTMAPTLMNAMEN1TSHR
SCHEMBL2258557 0.87 MEN1 (0.48) MEN1TSHRKMT2AALDH1A1ENPP2

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
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

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 GRIN1 1251/4885GRIN2B 1845/4885HTT 4571/4885

“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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