SCHEMBL2229447

SCHEMBL2229447

O=Cc1sccc1-c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
ERN1 O75460 6/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38
MST1R Q04912 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TMIGD3 P0DMS9 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL17057025 0.81 DPP4 (0.41) DPP4ERN1ALDH1A1MAPTMEN1
SCHEMBL9696347 0.80 PRKDC (0.41) DPP4ALDH1A1MAPTMEN1KMT2A
SCHEMBL9414143 0.76 DPP4 (0.42) DPP4ERN1KDM4EALDH1A1MAPT
SCHEMBL10551507 0.74 ERN1 (0.44) DPP4ERN1KDM4EALDH1A1MAPT
SCHEMBL31231819 0.73 ERN1 (0.54) DPP4ERN1KDM4EALDH1A1MAPT
SCHEMBL2461016 0.73 BCAT2 (0.47) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL19156075 0.73 DPP4 (0.44) DPP4ERN1KDM4EALDH1A1MAPT
SCHEMBL1891145 0.72 ERN1 (0.49) DPP4ERN1ALDH1A1TSHRLTK
SCHEMBL31456556 0.72 ERN1 (0.49) DPP4ERN1ALDH1A1TSHRLTK
Hydrochloric Acid SCHEMBL20212707 0.71 ERN1 (0.47) DPP4ERN1ALDH1A1TSHRLTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392687-B1 1,3,8-TRIAZASPIRO[4,5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
US-20110193072-A1 FULLERENE DERIVATIVE, COMPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-11 US disclosed
EP-2345651-A1 FULLERENE DERIVATIVE, COMPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20060178390-A1 1,3,8-Triazaspiro[4,5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JORDAN ALFONZO 2006-08-10 US disclosed
US-7053101-B2 1,3,8-triazaspiro[4,5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JORDAN ALFONZO 2006-05-30 US disclosed
US-20050004154-A1 1,2,8-Triazaspiro{decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders JORDAN ALFONZO (US) 2005-01-06 US disclosed
US-6777421-B2 TREATING A CONDITION SELECTED FROM THE GROUP CONSISTING OF ANXIETY, DEPRESSION, SUBSTANCE ABUSE, NEUROPATHIC PAIN, ACUTE PAIN, MIGRAINE, ASTHMA, COUGH AND IMPROVED COGNITION, IN A SUBJECT IN NEED THEREOF COMPRISING ADMINISTERING A COMPOUND ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-08-17 US disclosed
EP-1392687-A1 1,3,8-TRIAZASPIRO[4,5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-03-03 EP disclosed
US-20030109539-A1 1,3,8-Triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-12 US disclosed
WO-2002083673-A1 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-24 WO disclosed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 WO disclosed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 WO disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
EP-0585999-A1 Functional heteroaromatics for NLO applications ENICHEM S.p.A. (IT) 1994-03-09 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 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 (4 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-20050004154-A1 1,2,8-Triazaspiro{decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders OPRL1, CALCRL, OPRK1 DPP4 1268/4885ERN1 2989/4885KDM4E 4442/4885
US-20060178390-A1 1,3,8-Triazaspiro[4,5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, OPRK1, CALCRL DPP4 1536/4885ERN1 2318/4885KDM4E 4550/4885
US-20030109539-A1 1,3,8-Triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, GPR4, GPR174 DPP4 1000/4885ERN1 2390/4885KDM4E 4355/4885
US-20110193072-A1 FULLERENE DERIVATIVE, COMPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT C1S, CYP2S1, CCNE2 DPP4 4556/4885ERN1 1474/4885KDM4E 1176/4885

“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.