SCHEMBL3987657

SCHEMBL3987657

c1ncc2c(n1)CCCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
ADRA2A P08913 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
GRM5 P41594 2/20 0.34
HDAC9 Q9UKV0 1/20 0.32
MAOB P27338 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CYP11B2 P19099 1/20 0.31
GAA P10253 2/20 0.31
EEF2K O00418 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3988316 1.00 SIGMAR1 (0.41) SIGMAR1ADRA2AADRA2BADRA2CCDK5
SCHEMBL2940094 1.00 SIGMAR1 (0.41) SIGMAR1ADRA2AADRA2BADRA2CCDK5
SCHEMBL19450091 1.00 SIGMAR1 (0.41) SIGMAR1ADRA2AADRA2BADRA2CCDK5
SCHEMBL2946238 1.00 SIGMAR1 (0.41) SIGMAR1ADRA2AADRA2BADRA2CCDK5
SCHEMBL19450166 1.00 SIGMAR1 (0.41) SIGMAR1ADRA2AADRA2BADRA2CCDK5
SCHEMBL556889 0.98 SIGMAR1 (0.43) SIGMAR1ADRA2AADRA2BADRA2CCDK5
SCHEMBL29460883 0.98 SIGMAR1 (0.43) SIGMAR1ADRA2AADRA2BADRA2CCDK5
SCHEMBL29438246 0.93
SCHEMBL35277 0.93
SCHEMBL15492457 0.86 CYP11B2 (0.36) SIGMAR1ADRA2AADRA2BADRA2CCDK5

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
US-7544691-B2 Guanidine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2009-06-09 US claimed
EP-1663993-B1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-12 EP claimed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US claimed
JP-2007504176-A 2007-03-01 JP claimed
EP-1663993-A1 GUANIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-06-07 EP claimed
WO-2005023781-A1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2005-03-17 WO claimed
US-10988484-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2021-04-27 US disclosed
US-20190315772-A1 GLUCOSE UPTAKE INHIBITORS KADMON CORP LLC (US) 2019-10-17 US disclosed
US-10273248-B2 Glucose uptake inhibitors Kadmon Corportion, LLC (US) 2019-04-30 US disclosed
WO-2017175985-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 주식회사 두산 2017-10-12 WO disclosed
US-7544691-B2 Guanidine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2009-06-09 US disclosed
EP-1663993-B1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-12 EP disclosed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US disclosed
EP-1663993-A1 GUANIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-06-07 EP disclosed
WO-2005023781-A1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2005-03-17 WO disclosed
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP 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-20070123510-A1 Guanidine derivatives NPFFR1, NPFFR2, OGFR SIGMAR1 705/4885ADRA2A 381/4885ADRA2B 343/4885
US-10988484-B2 Glucose uptake inhibitors SLC2A1, SLC2A2, SLC2A4 SIGMAR1 3735/4885ADRA2A 3621/4885ADRA2B 3766/4885
US-20190315772-A1 GLUCOSE UPTAKE INHIBITORS SLC2A1, SLC2A4, SLC2A2 SIGMAR1 3504/4885ADRA2A 4436/4885ADRA2B 4422/4885
US-10273248-B2 Glucose uptake inhibitors SLC2A1, SLC2A2, SLC2A4 SIGMAR1 3683/4885ADRA2A 3478/4885ADRA2B 3665/4885

“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.