SCHEMBL4903520

SCHEMBL4903520

CN(C)CCOc1cccc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.66
NOS1 P29475 8/20 0.55
NOS3 P29474 7/20 0.55
NOS2 P35228 6/20 0.55
HTR1B P28222 1/20 0.46
CYBB P04839 1/20 0.46
NCF1 P14598 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
HTR6 P50406 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL4901032 0.92 HTR7 (0.55) HTR7NOS1NOS3NOS2HTR1B
SCHEMBL7535239 0.87 HTR7 (0.77) HTR7HTR1BKEAP1NFE2L2CHRNB2
SCHEMBL8403606 0.81 HTR7 (0.68) HTR7HTR1BKEAP1NFE2L2CHRNB2
SCHEMBL14294278 0.81 HTR7 (0.68) HTR7NOS1NOS3NOS2HTR1B
SCHEMBL6304828 0.80 HTR7 (0.43) HTR7HTR1B
SCHEMBL3384107 0.79 HTR7 (1.00) HTR7NOS1NOS3NOS2HTR1B
SCHEMBL13005044 0.79 HTR7 (0.66) HTR7NOS1NOS3NOS2HTR1B
SCHEMBL10665610 0.79 HTR7 (0.49) HTR7NOS1NOS3NOS2HTR1B
SCHEMBL3133230 0.79 MCHR1 (0.55) HTR7NOS3NOS2NCF1
SCHEMBL1964751 0.79 TSHR (0.41) HTR7NOS3NOS2CYBBNCF1

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-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US claimed
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2005-03-17 US claimed
EP-1326831-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2003-07-16 EP claimed
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2002-09-12 US claimed
WO-2002020480-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2002-03-14 WO claimed
US-9790209-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 US disclosed
US-20160340343-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20150225373-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-08-13 US disclosed
EP-2890695-A2 KINASE INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
WO-2014033447-A2 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-03-06 WO disclosed
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US disclosed
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 US disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 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 (9 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HTR7 3972/4885NOS1 346/4885NOS3 530/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX HTR7 4293/4885NOS1 137/4885NOS3 235/4885
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NPSR1, GABRE, CHRNE HTR7 94/4885NOS1 2002/4885NOS3 2382/4885
US-20150225373-A1 KINASE INHIBITORS SYK, SRC, BTK HTR7 1934/4885NOS1 546/4885NOS3 1510/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE HTR7 91/4885NOS1 1674/4885NOS3 2776/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HTR7 3972/4885NOS1 346/4885NOS3 530/4885
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE HTR7 94/4885NOS1 2002/4885NOS3 2382/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HTR7 3972/4885NOS1 346/4885NOS3 530/4885
US-20160340343-A1 KINASE INHIBITORS SYK, LYN, BTK HTR7 2048/4885NOS1 564/4885NOS3 1489/4885

“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.