SCHEMBL347402

SCHEMBL347402

CCOC(=O)N1CCC(NC(=O)c2cnc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.50
HTR7 P34969 1/20 0.49
USP30 Q70CQ3 3/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM5A P29375 1/20 0.47
GABRA5 P31644 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2070138 0.90 HPGDS (0.64) HPGDSHTR7USP30NPC1ALDH1A1
SCHEMBL1365112 0.87 MAP4K4 (0.53) HPGDSHTR7USP30DRD2DRD4
SCHEMBL1366021 0.86 DRD2 (0.52) HPGDSHTR7USP30DRD2DRD4
SCHEMBL348209 0.81 HPGDS (0.56) HPGDSHTR7USP2DRD2DRD4
SCHEMBL1366139 0.81 HPGDS (0.51) HPGDSHTR7DRD2DRD4KDM5A
SCHEMBL1365756 0.81 HPGDS (0.55) HPGDSHTR7DRD2DRD4GABRA5
SCHEMBL1367638 0.80 USP30 (0.53) HPGDSUSP30GABRA5
SCHEMBL1368210 0.80 HPGDS (0.55) HPGDSHTR7DRD2DRD4GABRA5
SCHEMBL1365108 0.80 MAP4K4 (0.50) HPGDSHTR7DRD2DRD4GABRA5
SCHEMBL1366974 0.79 HPGDS (0.54) HPGDSHTR7ALDH1A1DRD2DRD4

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 27 patents — showing the first 20. 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
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 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
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
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US 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 99/4885HTR7 658/4885USP30 4116/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885HTR7 658/4885USP30 4116/4885

“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.