SCHEMBL2312426

SCHEMBL2312426

CCc1nc2cc3c(c(Br)c2o1)CCNCC3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.41
DRD3 P35462 7/20 0.41
DRD2 P14416 3/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 8/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
PDE7B Q9NP56 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL2307639 0.85 KCNH2 (0.41) KCNH2DRD3DRD2HRH1HTR2B
SCHEMBL2309741 0.82 DRD3 (0.39) KCNH2DRD3DRD2HRH1HTR2B
SCHEMBL2308461 0.76 DRD3 (0.40) KCNH2DRD3DRD2HRH1HTR2B
SCHEMBL2309199 0.75 DRD3 (0.41) KCNH2DRD3DRD2HTR2BHTR2A
SCHEMBL12386968 0.73 KCNH2 (0.56) KCNH2DRD3DRD2HRH1
SCHEMBL2312846 0.71 KCNH2 (0.42) KCNH2DRD3DRD2HRH1
SCHEMBL2310044 0.68 HTR2B (0.39) KCNH2DRD3DRD2HTR2BHTR2A
SCHEMBL4877007 0.66 HTR2B (0.43) KCNH2DRD3HRH1HTR2BHTR2A
SCHEMBL2310151 0.64 ALDH1A1 (0.45) KCNH2DRD3DRD2HTR2BHTR2C
SCHEMBL719750 0.64 DRD2 (0.45) DRD2HTR2BHTR2AHTR2C

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 KCNH2 856/4885DRD3 1/4885DRD2 2/4885

“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.