SCHEMBL2314022

SCHEMBL2314022

CN(C)c1nc2cc3c(cc2o1)CCNCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.39
ADCY3 O60266 1/20 0.39
ADCY9 O60503 1/20 0.39
ADCY5 O95622 1/20 0.39
ADCY8 P40145 1/20 0.39
ADCY7 P51828 1/20 0.39
ADCY2 Q08462 1/20 0.39
ADCY1 Q08828 1/20 0.39
ADCY4 Q8NFM4 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIK3CA P42336 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTR2B P41595 7/20 0.35
HTR2C P28335 6/20 0.35
CHRNB2 P17787 2/20 0.33

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
SCHEMBL2309780 0.79 CHRNB2 (0.53) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2309977 0.75 CHRNB2 (0.56) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2309199 0.75 DRD3 (0.41) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2310815 0.75 LMNA (0.43) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2310151 0.73 ALDH1A1 (0.45) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2310009 0.73 DRD3 (0.42) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2312105 0.72 MPO (0.45) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2310821 0.72 DRD2 (0.39) ADCY6ADCY3ADCY9ADCY5ADCY8
Hydrochloric Acid SCHEMBL2313159 0.71 MPO (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2311109 0.70 DRD3 (0.41) ADCY6ADCY3ADCY9ADCY5ADCY8

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 ADCY6 920/4885ADCY3 296/4885ADCY9 869/4885

“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.