SCHEMBL3471805

SCHEMBL3471805

FC(F)(F)N1CC=C(c2ccc(-c3ccc(N4CCNCC4)nc3)s2)N1c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
CNR2 P34972 5/20 0.36
RET P07949 1/20 0.34
MELK Q14680 1/20 0.34
CNR1 P21554 1/20 0.34
DGAT1 O75907 1/20 0.34
NTRK1 P04629 2/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALK Q9UM73 1/20 0.33
JAK2 O60674 1/20 0.33
NMT1 P30419 1/20 0.33
ADRB2 P07550 1/20 0.33
PLD1 Q13393 1/20 0.33

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
SCHEMBL3475014 0.75 RXRA (0.56) ADRB1CNR2RETDGAT1ALK
SCHEMBL3471804 0.75 ADRB1 (0.39) ADRB1CNR2RETMELKCNR1
SCHEMBL3576475 0.69 CNR2 (0.38) CNR2RETNTRK1KCNH2CACNA1C
Tert-Butyl Formate SCHEMBL27738020 0.69 RXRA (0.52) RETNTRK1ALKJAK2NMT1
SCHEMBL16328868 0.66 NR3C2 (0.44) ADRB1CNR2RETDGAT1NTRK1
SCHEMBL14624199 0.66 IRAK4 (0.41) CNR2RETDGAT1KCNH2ADRB2
SCHEMBL15459629 0.65 RET (0.42) CNR2RETKCNH2CACNA1CASIC3
SCHEMBL3471163 0.64 RXRA (0.56) CNR2DGAT1KCNH2
SCHEMBL3442195 0.63 GPR119 (0.59) ADRB1NTRK1KCNH2CACNA1CASIC3
SCHEMBL12911533 0.62 GPR119 (0.58) ADRB1CNR2RETKCNH2CACNA1C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 ADRB1 57/4885CNR2 149/4885RET 1635/4885

“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.