SCHEMBL2261115

SCHEMBL2261115

CN(C(=O)CN1CCN(C(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.46
DRD4 P21917 1/20 0.43
TACR1 P25103 1/20 0.40
AURKA O14965 1/20 0.40
POLQ O75417 9/20 0.39
TGFBR1 P36897 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.38
MC4R P32245 1/20 0.37
P2RY12 Q9H244 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
SCHEMBL2258080 0.82 LMNA (0.48) ALDH1A1KDM4EDRD4DRD3MEN1
SCHEMBL2257784 0.82 SIGMAR1 (0.48) DRD2DRD3MEN1KMT2AGRM5
SCHEMBL2256149 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ETGFBR1MEN1TSHR
SCHEMBL2258114 0.81 MAPT (0.49) ALDH1A1KDM4EDRD2DRD3MEN1
SCHEMBL2258118 0.81 TP53 (0.49) ALDH1A1KDM4EMEN1TSHRKMT2A
SCHEMBL2259046 0.80 MAPT (0.47) ALDH1A1KDM4EMEN1TSHRKMT2A
SCHEMBL2258557 0.80 MEN1 (0.48) ALDH1A1KDM4EMEN1TSHRKMT2A
SCHEMBL2257410 0.80 MEN1 (0.48) ALDH1A1KDM4EDRD2DRD3MEN1
SCHEMBL2255578 0.80 GAA (0.56) ALDH1A1KDM4EDRD2DRD3MEN1
SCHEMBL2261419 0.80 MEN1 (0.61) ALDH1A1MEN1TSHRKMT2AGRM5

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 ALDH1A1 3692/4885KDM4E 2153/4885DRD4 2249/4885

“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.