SCHEMBL3597952

SCHEMBL3597952

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
DRD3 P35462 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RIPK1 Q13546 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3592394 0.90 OPRK1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3598959 0.90 POLB (0.35) TAAR1DRD2DRD1DRD4DRD5
SCHEMBL3602149 0.84 TAAR1 (0.34) TAAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL3598105 0.81 OPRM1 (0.40)
SCHEMBL3590994 0.80 ADRB2 (0.43) DRD2DRD1DRD4DRD3ADRB2
SCHEMBL2210584 0.80 ADRB2 (0.52) ADRB2
SCHEMBL3597947 0.74 ADRB2 (0.43) TAAR1ADRB2MPO
SCHEMBL3592200 0.74 ADRB2 (0.37) DRD2DRD3ADRB2
SCHEMBL3598071 0.73 POLB (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3598241 0.72 OPRM1 (0.40) DRD2DRD3

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 577/4885HTR2A 931/4885HTR2C 1136/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A TAAR1 28/4885HTR2A 65/4885HTR2C 125/4885

“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.