SCHEMBL4176103

SCHEMBL4176103

CN(C)c1ccc(NCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 6/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HPGD P15428 1/20 0.43
APP P05067 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL18216985 0.89 SLC2A1 (0.46) ADRA2AALDH1A1TSHRALOX15HSD17B10
SCHEMBL6152657 0.82 MAPT (0.50) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL13159580 0.81 MAPT (0.54) ADRA2AALDH1A1TSHRALOX15HSD17B10
SCHEMBL10668913 0.80 MAPT (0.53) ALDH1A1TSHRMAPTGAASMN1; SMN2
SCHEMBL6571406 0.79 ADRA2A (0.40) ADRA2AALDH1A1ALOX15HSD17B10MAPT
SCHEMBL11507189 0.79 MAPT (0.55) ALDH1A1MAPTGAARAB9AMAPK1
SCHEMBL4171220 0.79 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL20837983 0.79 HDAC1 (0.46) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL10848850 0.79 CA1 (0.46) ADRA2AALDH1A1TSHRALOX15HSD17B10
Hydrochloric Acid SCHEMBL9660653 0.79 MAPT (0.51) ALDH1A1TSHRMAPTGAASMN1; SMN2

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-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 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-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK ADRA2A 375/4885ALDH1A1 872/4885TSHR 648/4885

“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.