SCHEMBL3602149

SCHEMBL3602149

CC(C)(C)CN(CCc1ccc(O)c(NC=O)c1)CCN(CCC(N)=O)CCc1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NR3C2 P08235 1/20 0.32
ADRB2 P07550 2/20 0.32
RIPK1 Q13546 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL3592200 0.91 ADRB2 (0.37) OPRM1OPRD1OPRK1ADRB2DRD2
SCHEMBL3598071 0.90 POLB (0.35) NR3C2ADRB2CYP3A4CYP2D6DRD2
SCHEMBL3597952 0.84 TAAR1 (0.37) TAAR1HTR2AHTR2CHTR2BNR3C2
SCHEMBL3590892 0.82 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL3602144 0.77 ADRB2 (0.41) TAAR1OPRM1OPRD1OPRK1ADRB2
SCHEMBL3590994 0.76 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL2210584 0.75 ADRB2 (0.52) ADRB2
SCHEMBL3597016 0.74 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL3592394 0.74 OPRK1 (0.39) OPRM1OPRD1OPRK1CYP3A4CYP2D6
SCHEMBL3598959 0.73 POLB (0.35) TAAR1OPRK1NR3C2CYP3A4CYP2D6

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-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B TAAR1 577/4885OPRM1 83/4885OPRD1 38/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A TAAR1 28/4885OPRM1 51/4885OPRD1 27/4885

“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.