SCHEMBL2309780

SCHEMBL2309780

Cc1nc2cc3c(cc2o1)CCNCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
DRD2 P14416 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 1/20 0.38
ADCY4 Q8NFM4 1/20 0.38
DRD3 P35462 8/20 0.38
KCNH2 Q12809 6/20 0.38
HRH1 P35367 1/20 0.38
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 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
SCHEMBL2314022 0.79 ADCY6 (0.39) CHRNB2CHRNA4DRD2ADCY6ADCY3
SCHEMBL2309977 0.79 CHRNB2 (0.56) CHRNB2CHRNA4DRD2ADCY6ADCY3
SCHEMBL2309199 0.79 DRD3 (0.41) CHRNB2CHRNA4DRD2GAAADCY6
SCHEMBL2310815 0.79 LMNA (0.43) CHRNB2CHRNA4DRD2ADCY6ADCY3
SCHEMBL2310151 0.76 ALDH1A1 (0.45) CHRNB2CHRNA4DRD2ADCY6ADCY3
SCHEMBL2310009 0.76 DRD3 (0.42) CHRNB2CHRNA4DRD2ADCY6ADCY3
SCHEMBL2312105 0.76 MPO (0.45) CHRNB2CHRNA4DRD2ADCY6ADCY3
SCHEMBL2310821 0.76 DRD2 (0.39) CHRNB2CHRNA4DRD2ADCY6ADCY3
SCHEMBL2756560 0.74 L3MBTL1 (0.53) CHRNB2CHRNA4L3MBTL1GAAALDH1A1
SCHEMBL2310044 0.74 HTR2B (0.39) CHRNB2CHRNA4DRD2ADCY6ADCY3

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 CHRNB2 190/4885CHRNA4 116/4885DRD2 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.