SCHEMBL2310044

SCHEMBL2310044

Cc1nc2cc3c(c(C)c2o1)CCNCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
DRD3 P35462 4/20 0.37
KCNH2 Q12809 4/20 0.37
DRD2 P14416 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KCNA3 P22001 2/20 0.34
HTR7 P34969 2/20 0.31
ADCY6 O43306 1/20 0.31
ADCY3 O60266 1/20 0.31
ADCY9 O60503 1/20 0.31
ADCY5 O95622 1/20 0.31
ADCY8 P40145 1/20 0.31
ADCY7 P51828 1/20 0.31
ADCY2 Q08462 1/20 0.31
ADCY1 Q08828 1/20 0.31
ADCY4 Q8NFM4 1/20 0.31
HTR1D P28221 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
SCHEMBL2309741 0.85 DRD3 (0.39) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL2307639 0.83 KCNH2 (0.41) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL2312419 0.82 DRD3 (0.41) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL2309780 0.74 CHRNB2 (0.53) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL2312426 0.68 KCNH2 (0.41) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL11537245 0.65 KCNA3 (0.42) CHRNB2CHRNA4KCNA3
SCHEMBL721453 0.65 DRD2 (0.49) HTR2BHTR2AHTR2CDRD2CHRNB2
SCHEMBL2308461 0.65 DRD3 (0.40) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL12333324 0.65 HTR2C (0.58) HTR2BHTR2AHTR2CHTR7ADCY6
SCHEMBL4872352 0.65 HTR2C (0.46) HTR2BHTR2AHTR2CDRD3KCNH2

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 7 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-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
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 HTR2B 125/4885HTR2A 106/4885HTR2C 34/4885

“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.