SCHEMBL347916

SCHEMBL347916

O=C(NC1CCN(CC(F)(F)F)CC1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.80
KDM1A O60341 2/20 0.55
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
HTR7 P34969 2/20 0.51
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
WNT1 P04628 1/20 0.49
DYRK1A Q13627 1/20 0.49
CCR3 P51677 1/20 0.48

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
SCHEMBL1366617 0.90 HPGDS (0.66) HPGDSKDM1AROCK2ROCK1WNT1
SCHEMBL31580459 0.89 HPGDS (1.00) HPGDSKDM1ADRD2DRD4HTR7
SCHEMBL2070457 0.89 HPGDS (1.00) HPGDSKDM1ADRD2DRD4HTR7
SCHEMBL1367370 0.89 HPGDS (0.65) HPGDSKDM1ADRD4HTR7ROCK2
SCHEMBL1366918 0.89 HPGDS (0.65) HPGDSKDM1ADRD4ROCK2ROCK1
SCHEMBL1367082 0.88 HPGDS (0.78) HPGDSKDM1AROCK2ROCK1WNT1
SCHEMBL1365857 0.88 HPGDS (0.64) HPGDSKDM1AROCK2ROCK1WNT1
SCHEMBL1365993 0.88 HPGDS (0.66) HPGDSKDM1ADRD2DRD4ROCK2
SCHEMBL2070012 0.87 HPGDS (0.73) HPGDSKDM1ADRD2DRD4HTR7
SCHEMBL1365939 0.87 HPGDS (0.61) HPGDSDRD2DRD4HTR7DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750749-B2 Methods of treating thyroid eye disease UNIVERSITY OF ROCHESTER (US) 2017-09-05 US claimed
US-20160199386-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2016-07-14 US claimed
US-20120015001-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2012-01-19 US claimed
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US claimed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP claimed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US claimed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO claimed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US claimed
US-9750749-B2 Methods of treating thyroid eye disease UNIVERSITY OF ROCHESTER (US) 2017-09-05 US disclosed
US-20160199386-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2016-07-14 US disclosed
US-9320723-B2 Methods of treating thyroid eye disease UNIVERSITY OF ROCHESTER (US) 2016-04-26 US disclosed
US-20120015001-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2012-01-19 US disclosed
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885KDM1A 2416/4885DRD2 4108/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885KDM1A 2416/4885DRD2 4108/4885

“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.