SCHEMBL3616397

SCHEMBL3616397

CN1CCCN(c2ccc(N)c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.56
NCF1 P14598 2/20 0.54
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
PTK2B Q14289 1/20 0.47
HTR3A P46098 4/20 0.47
HRH4 Q9H3N8 2/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAD52 P43351 1/20 0.43
AR P10275 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KEAP1 Q14145 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 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
SCHEMBL3623865 0.94 ADRA2C (0.62) ADRA2CNCF1KDM4EMAPTGAA
SCHEMBL29509033 0.94 ADRA2C (0.62) ADRA2CNCF1KDM4EMAPTGAA
SCHEMBL10105292 0.85 KEAP1 (0.57) NCF1KDM4EMAPTGAAMAPK1
SCHEMBL1127096 0.83 ADRA2C (0.68) ADRA2CNCF1KDM4EMAPTGAA
SCHEMBL12932462 0.80 ADRA2C (0.86) ADRA2CNCF1KDM4EMAPTGAA
SCHEMBL17144774 0.78 NCF1 (0.56) ADRA2CNCF1KDM4EHTR3AHRH4
SCHEMBL3621630 0.76 GAA (0.51) ADRA2CKDM4EMAPTGAARAD52
SCHEMBL3625174 0.76 F12 (0.47) ADRA2CNCF1KDM4EMAPTALDH1A1
SCHEMBL3620838 0.76 CTSB (0.76) KDM4EMAPTGAAMAPK1HTT
SCHEMBL3617778 0.75 HTR6 (0.58) NCF1KDM4EMAPTHTR3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 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 (5 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-20070066599-A1 New compounds SULT2A1, GPR119, STS ADRA2C 1764/4885NCF1 2967/4885KDM4E 3591/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 ADRA2C 1891/4885NCF1 2806/4885KDM4E 3286/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 ADRA2C 1989/4885NCF1 1239/4885KDM4E 3527/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 ADRA2C 1891/4885NCF1 2806/4885KDM4E 3286/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS ADRA2C 1764/4885NCF1 2967/4885KDM4E 3591/4885

“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.