SCHEMBL14368014

SCHEMBL14368014

CCc1cccc(NCCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC4 P56524 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47

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
SCHEMBL10684601 0.89 RAPGEF4 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28044646 0.86 RAPGEF4 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10990076 0.82 RAPGEF4 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17347503 0.82 RAPGEF4 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14368016 0.80 ALDH1A1 (0.50) ALDH1A1HDAC4HDAC3HDAC1HDAC7
SCHEMBL13113859 0.80 MAPT (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15946021 0.80 ALDH1A1 (0.49) ALDH1A1HDAC4HDAC11HDAC8MEF2D
SCHEMBL5004348 0.79 HTR7 (0.52) ALDH1A1HDAC4HDAC1HDAC11HDAC8
SCHEMBL8284615 0.79 MAPT (0.71) ALDH1A1HDAC4HDAC3HDAC1HDAC7
SCHEMBL21257474 0.79 MAPT (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B SIGMAR1 37/4885GRIN2D 1322/4885GRIN3B 921/4885

“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.