SCHEMBL15064281

SCHEMBL15064281

O=C1COc2c(cccc2N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.66
DRD2 P14416 8/20 0.63
DRD3 P35462 4/20 0.58
DRD4 P21917 2/20 0.58
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX12 P18054 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR7 P34969 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL4945077 0.87 DRD2 (0.53) HTR1ADRD2DRD3DRD4ALDH1A1
SCHEMBL792117 0.86 DRD2 (0.63) HTR1ADRD2DRD3DRD4HTR7
SCHEMBL4945814 0.81 HTR1A (0.66) HTR1ADRD2DRD3DRD4ALDH1A1
SCHEMBL15064317 0.79 HTR1A (1.00) HTR1ADRD2HTR2A
SCHEMBL15064363 0.77 HTR1A (0.96) HTR1ADRD2HTR2A
SCHEMBL13484830 0.77 HTR1A (0.71) HTR1ADRD2DRD3DRD4ALDH1A1
SCHEMBL21802140 0.75 DRD2 (0.85) HTR1ADRD2DRD3DRD4ALDH1A1
SCHEMBL252526 0.75 DRD2 (1.00) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL792873 0.75 HTR1A (0.61) HTR1ADRD2DRD3DRD4ADRA1D
SCHEMBL792746 0.75 DRD2 (0.61) HTR1ADRD2HTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 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-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR1A 1354/4885DRD2 3216/4885DRD3 3561/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR1A 1354/4885DRD2 3216/4885DRD3 3561/4885

“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.