SCHEMBL9909663

SCHEMBL9909663

CNCCc1ccc(O)c2c1OCC(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 13/20 0.52
ADRB2 P07550 8/20 0.52
SMYD2 Q9NRG4 4/20 0.52
DRD2 P14416 3/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
DRD1 P21728 1/20 0.52

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
SCHEMBL13437595 0.85 DRD2 (0.56) ADRB1ADRB2SMYD2DRD2DRD4
SCHEMBL1246145 0.83 DRD2 (0.51) ADRB1ADRB2SMYD2DRD2DRD4
SCHEMBL12119317 0.83 DRD2 (0.56) ADRB1ADRB2DRD2DRD4DRD3
SCHEMBL1246294 0.82 DRD2 (0.59) ADRB1ADRB2SMYD2DRD2DRD4
Hydrochloric Acid SCHEMBL4022568 0.82 ADRB1 (0.55) ADRB1ADRB2SMYD2DRD2DRD4
Hydrochloric Acid SCHEMBL1244917 0.81 DRD2 (0.58) ADRB1ADRB2DRD2DRD4DRD3
SCHEMBL27792025 0.81 ADRB2 (0.47) ADRB1ADRB2SMYD2DRD2DRD4
Acetic Acid SCHEMBL28545033 0.80 DRD2 (0.53) ADRB1ADRB2SMYD2DRD2DRD4
SCHEMBL27771020 0.79 DRD2 (0.52) ADRB1ADRB2DRD2DRD4DRD3
SCHEMBL27924912 0.78 ADRB1 (0.50) ADRB1ADRB2SMYD2DRD2DRD4

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
WO-2017107877-A1 BIPHENYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL USE THEREOF 四川海思科制药有限公司 2017-06-29 WO disclosed
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
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 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 (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 ADRB1 4/4885ADRB2 18/4885SMYD2 3203/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A ADRB1 2/4885ADRB2 1/4885SMYD2 1024/4885

“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.