SCHEMBL3947283

SCHEMBL3947283

CC1CN(c2ccnc3ccc(N)cc23)CC(C)N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
SIGMAR1 Q99720 1/20 0.44
NCF1 P14598 4/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM4 P08173 1/20 0.40
FLT3 P36888 1/20 0.39
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
PARP1 P09874 1/20 0.36
PTPN11 Q06124 2/20 0.36
HTT P42858 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL4041944 0.86 HTR6 (0.49) HTR6NCF1KMT2ATDP1CHRM4
SCHEMBL4132251 0.86 HTR6 (0.49) HTR6NCF1KMT2ATDP1CHRM4
SCHEMBL7474130 0.79 HTT (0.59) HTR6SIGMAR1NCF1KMT2ATDP1
SCHEMBL3955079 0.77 HTR6 (0.49) HTR6NCF1CHRM4ATRATRIP
SCHEMBL3948439 0.76 NCF1 (0.70) HTR6NCF1ADRB2HTR1AHTR1D
SCHEMBL3947682 0.76 KDM4E (0.51) HTR6NCF1KMT2ACHRM4ADRB2
SCHEMBL5639561 0.76 KMT2A (0.72) HTR6NCF1KMT2ATDP1ADRB2
Hydrochloric Acid SCHEMBL7590361 0.75 NCF1 (0.68) HTR6NCF1ADRB2HTR1AHTR1D
Hydrochloric Acid SCHEMBL7531114 0.75 KDM4E (0.54) HTR6NCF1KMT2ACHRM4ADRB2
SCHEMBL3946611 0.74 HTR6 (0.51) HTR6NCF1CHRM4ADRB2HTR1A

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 6 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 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 HTR6 1402/4885SIGMAR1 364/4885NCF1 2381/4885

“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.