SCHEMBL3597947

SCHEMBL3597947

CC(C)(C)CN(CCNCCc1ccc(O)c(CO)c1)C(=O)CCNCCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.43
MPO P05164 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
ADRB1 P08588 1/20 0.35
SMYD2 Q9NRG4 1/20 0.34

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
SCHEMBL3592390 0.91 ADRB2 (0.42) ADRB2OPRK1ADRB1SMYD2
SCHEMBL3598956 0.90 ADRB2 (0.36) ADRB2MEN1KMT2ASMYD2
SCHEMBL3602144 0.86 ADRB2 (0.41) ADRB2MPOOPRM1OPRD1OPRK1
SCHEMBL3590992 0.81 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL2210578 0.80 ADRB2 (0.68) ADRB2
SCHEMBL3598104 0.79 SMYD2 (0.53) ADRB2MPOOPRM1ADRB1SMYD2
Trifluoroacetic Acid SCHEMBL2212361 0.77 ADRB2 (0.64) ADRB2
SCHEMBL3592197 0.76 ADRB2 (0.45) ADRB2OPRK1ADRB1
SCHEMBL3598067 0.76 ADRB2 (0.39) ADRB2MEN1KMT2AADRB1
SCHEMBL3597952 0.74 TAAR1 (0.37) ADRB2MPOTAAR1

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 ADRB2 18/4885MPO 2829/4885OPRM1 83/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A ADRB2 1/4885MPO 2773/4885OPRM1 51/4885

“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.