SCHEMBL2005045

SCHEMBL2005045

O=C(O)NC1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.56
ADRB1 P08588 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
CHRM4 P08173 1/20 0.52
DPP4 P27487 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ACACB O00763 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
CCR2 P41597 2/20 0.47
FFAR1 O14842 1/20 0.46
LCAT P04180 2/20 0.46
PHGDH O43175 1/20 0.46
KCNH2 Q12809 1/20 0.46
SYK P43405 1/20 0.46
TRPV1 Q8NER1 2/20 0.45

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
SCHEMBL3928983 0.89 FFAR4 (0.55) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL3726669 0.85 FFAR4 (0.62) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL1729388 0.82 FFAR4 (0.59) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL14018540 0.82 ADRB1 (0.59) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL1728821 0.81 CHRM4 (0.68) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL2000948 0.81 KDM4E (0.65) DPP4MAPTKDM4EALDH1A1TRPV1
SCHEMBL3724434 0.81 FFAR4 (0.58) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL1352212 0.80 HRH3 (0.51) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL7134998 0.80 KDM4E (0.67) FFAR4ADRB1HRH3CHRM4DPP4
SCHEMBL2277568 0.79 LCAT (0.45) ACACBCCR2LCATKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 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 (2 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 FFAR4 155/4885ADRB1 154/4885HRH3 664/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 FFAR4 155/4885ADRB1 154/4885HRH3 664/4885

“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.