SCHEMBL3948439

SCHEMBL3948439

Nc1ccc2nccc(N3CCNCC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 0.70
ADRB2 P07550 3/20 0.64
HTR6 P50406 9/20 0.52
HTR1A P08908 3/20 0.50
HTR1D P28221 3/20 0.50
HTR1B P28222 3/20 0.50
HTR2A P28223 2/20 0.50
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
Hydrochloric Acid SCHEMBL7590361 0.99 NCF1 (0.68) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL2924886 0.82 NCF1 (0.79) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL3849006 0.82 NCF1 (1.00) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL17729254 0.82 NCF1 (0.70) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL16549300 0.82 GAA (0.53) NCF1ADRB2
SCHEMBL3947682 0.82 KDM4E (0.51) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL4041944 0.81 HTR6 (0.49) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL4132251 0.81 HTR6 (0.49) NCF1ADRB2HTR6HTR1AHTR1D
Hydrochloric Acid SCHEMBL7531114 0.81 KDM4E (0.54) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL2918624 0.79 NCF1 (0.81) NCF1ADRB2HTR6HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450806-B1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB PUBL (SE) 2009-04-29 EP claimed
EP-1450806-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2004-09-01 EP claimed
US-20030166663-A1 Use BIOVITRUM AB (SE) 2003-09-04 US claimed
WO-2003039547-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2003-05-15 WO claimed
EP-3040337-A1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2016-07-06 EP disclosed
WO-2015027667-A1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 浙江医药股份有限公司新昌制药厂 (CN) 2015-03-05 WO disclosed
EP-1450806-B1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB PUBL (SE) 2009-04-29 EP disclosed
EP-1450806-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2004-09-01 EP disclosed
US-20030166663-A1 Use BIOVITRUM AB (SE) 2003-09-04 US disclosed
WO-2003039547-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2003-05-15 WO disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 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 (1 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-20030166663-A1 Use SULT2A1, SULT1A1, SLC5A1 NCF1 2381/4885ADRB2 3119/4885HTR6 1402/4885

“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.