SCHEMBL1929978

SCHEMBL1929978

Oc1cc(CC2CNCCO2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A4 P31645 6/20 0.36
HTR2A P28223 4/20 0.36
HTR1A P08908 3/20 0.36
SLC6A2 P23975 2/20 0.36
HTR2B P41595 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP2D6 P10635 2/20 0.36
HTR2C P28335 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
SCHEMBL27695212 0.89 DRD2 (0.40) DRD2DRD3SLC6A4HTR2AHTR1A
SCHEMBL5184704 0.89 DRD2 (0.40) DRD2DRD3SLC6A4HTR2AHTR1A
SCHEMBL21815350 0.79 HTR2A (0.41) SLC6A4HTR2AHTR1ASLC6A2HTR2B
SCHEMBL578547 0.79 HTR2A (0.41) SLC6A4HTR2AHTR1ASLC6A2HTR2B
SCHEMBL1551829 0.79 DRD2 (0.42) DRD2DRD3SLC6A4HTR2AHTR1A
SCHEMBL27828941 0.79 DRD2 (0.42) DRD2DRD3SLC6A4HTR2AHTR1A
SCHEMBL1552182 0.77 ADRA2C (0.51) SLC6A4HTR2AHTR1ASLC6A2HTR2B
SCHEMBL1551851 0.77 ADRA2C (0.51) SLC6A4HTR2AHTR1ASLC6A2HTR2B
SCHEMBL1551849 0.77 ADRA2C (0.51) SLC6A4HTR2AHTR1ASLC6A2HTR2B
SCHEMBL5200710 0.77 CDK1 (0.44) DRD2DRD3SLC6A4HTR2AHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119216-A1 BORONIC ACID β-LACTAMASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 珠海联邦制药股份有限公司 2025-06-12 WO disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 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 (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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 DRD2 259/4885DRD3 398/4885SLC6A4 2060/4885

“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.