Dopamine

Dopamine

SCHEMBL7078952

NCCc1ccc(O)c(O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Dopamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
MAPT P10636 6/20 0.70
TDP1 Q9NUW8 5/20 0.70
MAPK1 P28482 4/20 0.70
HSD17B10 Q99714 4/20 0.70
ALOX15 P16050 4/20 0.70
ALDH1A1 P00352 4/20 0.70
RECQL P46063 3/20 0.70
APEX1 P27695 3/20 0.70
THPO P40225 3/20 0.70
TAAR1 Q96RJ0 3/20 0.70
ADRA2A P08913 2/20 0.70
DRD2 P14416 2/20 0.70
DRD1 P21728 2/20 0.70
DRD4 P21917 2/20 0.70
DRD5 P21918 2/20 0.70
SLC6A2 P23975 2/20 0.70
DRD3 P35462 2/20 0.70
SLC6A3 Q01959 2/20 0.70
ADRA1A P35348 2/20 0.70

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
Dopamine SCHEMBL31147982 0.88 KDM4E (0.84) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL28995038 0.88 KDM4E (0.84) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL30355306 0.88 KDM4E (0.84) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL5441164 0.86 KDM4E (0.81) KDM4EMAPTTDP1MAPK1HSD17B10
Trifluoroacetic Acid SCHEMBL3122743 0.86 CA2 (0.53) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL11668670 0.84 KDM4E (0.78) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL29245423 0.84 KDM4E (0.78) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL9051903 0.84 KDM4E (0.84) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL21990790 0.84 TAAR1 (0.91) KDM4EMAPTTDP1MAPK1HSD17B10
Dopamine SCHEMBL9166387 0.84 KDM4E (1.00) KDM4EMAPTTDP1MAPK1HSD17B10

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
EP-1322616-A2 QUINOLINE-(C=O)-(DI-, TRI- AND TETRAPEPTIDE) DERIVATIVES AS CASPASE INHIBITORS ENZYME SYSTEMS PRODUCTS INC. (US) 2003-07-02 EP disclosed
WO-2002018341-A9 QUINOLINE- (C=O) - (DI-, TRI- AND TETRAPEPTIDE) DERIVATIVES AS CASPASE INHIBITORS ENZYME SYST PROD INC (US) 2002-11-21 WO disclosed
US-20020052323-A1 Quinoline-(C=O)-(multiple amino acids)-leaving group compounds for pharmaceutical compositions and reagents MP BIOMEDICALS, LLC 2002-05-02 US disclosed
WO-2002018341-A2 QUINOLINE- (C=O) - (DI-, TRI- AND TETRAPEPTIDE) DERIVATIVES AS CASPASE INHIBITORS ENZYME SYSTEMS PRODUCTS, INC. (US) 2002-03-07 WO 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-20020052323-A1 Quinoline-(C=O)-(multiple amino acids)-leaving group compounds for pharmaceutical compositions and reagents CASP3, CASP1, BAX KDM4E 1714/4885MAPT 764/4885TDP1 1305/4885

“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.