SCHEMBL1994796

SCHEMBL1994796

NC1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.64
RBP4 P02753 1/20 0.62
HTR2C P28335 3/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
DKK1 O94907 1/20 0.50
PKM P14618 2/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A7 Q99884 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.47
OGA O60502 1/20 0.47
LCAT P04180 1/20 0.47
PARP1 P09874 1/20 0.46
RET P07949 1/20 0.45
PAK4 O96013 1/20 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
SCHEMBL8354208 0.85 ADRB1 (0.78) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL2834267 0.85 ADRB1 (0.61) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL5463427 0.85 ADRB1 (0.64) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL14923154 0.85 ADRB1 (0.64) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL346015 0.83 ADRB1 (0.58) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL13990650 0.82 ADRB1 (0.61) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL28070992 0.82 ADRB1 (0.73) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL1736241 0.81 ADRB1 (0.59) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL27830611 0.81 ADRB1 (0.59) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL13990826 0.81 ADRB1 (0.59) ADRB1RBP4HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 US disclosed
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
EP-1603899-B1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 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
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 US disclosed
EP-1603899-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004078749-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO disclosed
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 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 (5 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ ADRB1 675/4885RBP4 2488/4885HTR2C 1194/4885
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 ADRB1 1327/4885RBP4 2932/4885HTR2C 1006/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ADRB1 154/4885RBP4 341/4885HTR2C 2524/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 ADRB1 1327/4885RBP4 2932/4885HTR2C 1006/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ADRB1 154/4885RBP4 341/4885HTR2C 2524/4885

“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.