SCHEMBL13061367

SCHEMBL13061367

CCCc1ccccc1N1CCN(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.59
DRD2 P14416 6/20 0.57
DRD3 P35462 4/20 0.57
HTR1A P08908 3/20 0.57
DRD4 P21917 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
ADRA2C P18825 1/20 0.53
BRD9 Q9H8M2 5/20 0.52
BRD7 Q9NPI1 2/20 0.47
BRD4 O60885 3/20 0.46
BRPF1 P55201 2/20 0.46
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 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
SCHEMBL8361520 0.87 DRD2 (0.72) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL21593838 0.85 NCF1 (0.50) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL3633909 0.84 NCF1 (0.67) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL5722525 0.84 NCF1 (0.58) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL1541501 0.81 NCF1 (0.63) NCF1DRD2DRD3HTR1ADRD4
Hydrochloric Acid SCHEMBL6662186 0.81 NCF1 (0.63) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL29432674 0.81 HTR1A (0.58) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL7510287 0.81 BRD9 (0.40) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL404338 0.81 HTR1A (0.58) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL10244134 0.81 PKM (0.49) NCF1BRD9BRD4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US 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 (2 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 NCF1 3127/4885DRD2 3634/4885DRD3 3704/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 NCF1 3127/4885DRD2 3634/4885DRD3 3704/4885

“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.