SCHEMBL2259550

SCHEMBL2259550

Cc1ccc(N2CCN(C(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)CC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.46
▸ TSHR P16473 2/20 0.45
▸ HTR1D P28221 2/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ HTT P42858 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 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
SCHEMBL2258038 0.93 MAPT (0.49) MC4RTSHRHTR1DHTR1BMEN1
SCHEMBL2258114 0.89 MAPT (0.49) MC4RTSHRHTR1DHTR1BMEN1
SCHEMBL2257410 0.87 MEN1 (0.48) MC4RTSHRMEN1KMT2ALMNA
SCHEMBL2255578 0.87 GAA (0.56) MC4RTSHRMEN1KMT2ALMNA
SCHEMBL2258557 0.87 MEN1 (0.48) MC4RTSHRMEN1KMT2AALDH1A1
SCHEMBL2261419 0.87 MEN1 (0.61) MC4RTSHRMEN1KMT2ALMNA
SCHEMBL14177068 0.86 MEN1 (0.48) MC4RTSHRMEN1KMT2ALMNA
SCHEMBL2259046 0.85 MAPT (0.47) MC4RTSHRMEN1KMT2ALMNA
SCHEMBL2258410 0.85 KDM4E (0.44) MC4RTSHRHTR1DHTR1BMEN1
SCHEMBL2258158 0.84 HTR1A (0.49) MC4RTSHRHTR1DHTR1BMEN1

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 MC4R 962/4885TSHR 519/4885HTR1D 1119/4885

“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.

Send feedback