SCHEMBL8436102

SCHEMBL8436102

CCC1CCN(Cc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.73
GRIN2B Q13224 1/20 0.73
HTT P42858 1/20 0.66
HPGD P15428 1/20 0.63
DRD4 P21917 16/20 0.62
HTR1A P08908 1/20 0.58
ADRA2C P18825 1/20 0.58
HTR2A P28223 1/20 0.58
DRD2 P14416 3/20 0.56
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL14393788 0.90 GRIN1 (0.70) GRIN1GRIN2BHTTHPGDDRD4
SCHEMBL8252601 0.87 GRIN1 (0.70) GRIN1GRIN2BHTTHPGDDRD4
SCHEMBL5338493 0.87 CHRNA7 (0.70) GRIN1GRIN2BHTTDRD4HTR1A
SCHEMBL5333493 0.85 CHRNA7 (0.60) GRIN1GRIN2BDRD4HTR1ADRD2
SCHEMBL1388535 0.84 GRIN2B (1.00) GRIN1GRIN2BHTTHPGDDRD4
SCHEMBL5157052 0.84 HTT (0.84) GRIN1GRIN2BHTTHPGDDRD4
SCHEMBL6941438 0.83 HTT (0.69) GRIN1GRIN2BHTTHPGDDRD4
SCHEMBL18992217 0.83 HTT (0.64) GRIN1GRIN2BHTTHPGDDRD4
SCHEMBL1388305 0.82 GRIN1 (0.78) GRIN1GRIN2BHTTHPGDDRD4
SCHEMBL5339354 0.82 LMNA (0.52) GRIN1GRIN2BHTTHPGDDRD4

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-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 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 (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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 GRIN1 999/4885GRIN2B 1092/4885HTT 384/4885

“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.