SCHEMBL2258158

SCHEMBL2258158

N#Cc1ccccc1N1CCN(C(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.49
▸ HTR1D P28221 2/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ THRB P10828 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ ENPP2 Q13822 2/20 0.42
▸ TACR3 P29371 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2257229 0.92 KDM4E (0.53) HTR1AHTR1DHTR1BTHRBMEN1
SCHEMBL2256551 0.89 KDM4E (0.50) HTR1AHTR1DHTR1BTHRBMEN1
SCHEMBL2258557 0.88 MEN1 (0.48) MEN1TSHRKMT2AGRM5ALDH1A1
SCHEMBL2255578 0.88 GAA (0.56) MEN1TSHRKMT2ADRD2DRD3
SCHEMBL2261419 0.88 MEN1 (0.61) MEN1TSHRKMT2AGRM5ALDH1A1
SCHEMBL2257410 0.88 MEN1 (0.48) MEN1TSHRKMT2ADRD2DRD3
SCHEMBL14177068 0.88 MEN1 (0.48) MEN1TSHRKMT2ADRD2DRD3
SCHEMBL2259046 0.86 MAPT (0.47) MEN1TSHRKMT2AGRM5ALDH1A1
SCHEMBL2258114 0.85 MAPT (0.49) HTR1AHTR1DHTR1BTHRBMEN1
SCHEMBL2258205 0.85 HTT (0.50) MEN1TSHRKMT2AALDH1A1GAA

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 HTR1A 1350/4885HTR1D 1119/4885HTR1B 599/4885

“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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