SCHEMBL5367364

SCHEMBL5367364

C=CCc1ccccc1NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 6/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
LMNA P02545 3/20 0.44
HTR1A P08908 3/20 0.44
KCNH2 Q12809 2/20 0.44
ADRB3 P13945 1/20 0.44
SLC6A2 P23975 1/20 0.44
BDKRB2 P30411 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PMP22 Q01453 1/20 0.43
ADRA2B P18089 5/20 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
SCHEMBL10458439 0.80 NOS3 (0.41) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL10458438 0.80 NOS3 (0.41) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL8613162 0.79 ADRA2C (0.45) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL10458280 0.78 MEN1 (0.42) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL10458279 0.78 MEN1 (0.42) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL176287 0.78 ADRA2C (0.47) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL8097565 0.76 ALDH1A1 (0.46) TDP1ALDH1A1MEN1MAPTHTT
SCHEMBL30316736 0.76 ALDH1A1 (0.46) TDP1ALDH1A1MEN1MAPTHTT
SCHEMBL22133452 0.75 AOC1 (0.58) LMNATSHRTDP1ALDH1A1IDO1
SCHEMBL9416673 0.75 ADRA2C (0.45) ADRA2CADRB2ADRB1LMNAHTR1A

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-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT ADRA2C 197/4885ADRB2 304/4885ADRB1 593/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT ADRA2C 197/4885ADRB2 304/4885ADRB1 593/4885

“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.