SCHEMBL2259682

SCHEMBL2259682

O=C(CN1CCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ AKR1C3 P42330 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ IRAK4 Q9NWZ3 4/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PIK3R5 Q8WYR1 1/20 0.41
▸ PIK3R3 Q92569 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL2260917 0.92 IRAK4 (0.44) MAPTALDH1A1KDM4EIRAK4MEN1
SCHEMBL2260490 0.85 DRD2 (0.44) —
SCHEMBL2255840 0.84 DRD2 (0.44) —
SCHEMBL2258635 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EIRAK4SMN1; SMN2
SCHEMBL2256319 0.80 P2RX7 (0.42) ALDH1A1KDM4EPIK3CDPIK3R2PIK3CA
SCHEMBL2258978 0.80 DRD2 (0.44) KMT2ANPC1
SCHEMBL2258997 0.79 ALDH1A1 (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2257006 0.79 KCNA5 (0.42) MAPTALDH1A1KDM4ENPSR1
SCHEMBL2262663 0.78 ALDH1A1 (0.47) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL2261296 0.78 RXRA (0.46) NPSR1LMNA

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 MAPT 4713/4885AKR1C3 518/4885ALDH1A1 3692/4885

“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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