SCHEMBL2308461

SCHEMBL2308461

FC(F)(F)c1nc2cc3c(c(Br)c2o1)CCNCC3

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.40
KCNH2 Q12809 5/20 0.40
HRH1 P35367 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
ELANE P08246 1/20 0.32

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
SCHEMBL2312419 0.84 DRD3 (0.41) DRD3KCNH2HRH1DRD2HTR2A
SCHEMBL2309741 0.80 DRD3 (0.39) DRD3KCNH2HRH1DRD2HTR2A
SCHEMBL2312426 0.76 KCNH2 (0.41) DRD3KCNH2HRH1DRD2HTR2A
Hydrochloric Acid SCHEMBL2358964 0.75 DRD3 (0.32) DRD3KCNH2HRH1DRD2
SCHEMBL2310821 0.75 DRD2 (0.39) DRD3KCNH2DRD2HTR2AHTR2C
SCHEMBL2313777 0.71 KCNH2 (0.57) DRD3KCNH2HRH1DRD2
SCHEMBL4878438 0.67 HTR2A (0.44) DRD3KCNH2HRH1HTR2AHTR2C
SCHEMBL4871755 0.66 HTR2A (0.43) DRD3KCNH2HRH1DRD2HTR2A
SCHEMBL2310044 0.65 HTR2B (0.39) DRD3KCNH2DRD2HTR2AHTR2C
SCHEMBL2311109 0.64 DRD3 (0.41) DRD3KCNH2DRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 DRD3 1/4885KCNH2 856/4885HRH1 879/4885

“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.