SCHEMBL2312431

SCHEMBL2312431

Cc1nc2cc3c(c(Br)c2o1)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
KCNH2 Q12809 5/20 0.40
DRD3 P35462 4/20 0.40
NR1H2 P55055 1/20 0.40
HRH1 P35367 1/20 0.40
GRM5 P41594 1/20 0.37
GPR119 Q8TDV5 4/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CETP P11597 1/20 0.35
LMNA P02545 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL2308189 0.89 ESR2 (0.42) ESR2KCNH2DRD3NR1H2GRM5
SCHEMBL2312846 0.87 KCNH2 (0.42) ESR2KCNH2DRD3NR1H2HRH1
SCHEMBL2312041 0.80 ESR2 (0.48) ESR2NR1H2GRM5GPR119USP2
SCHEMBL2311804 0.77 DRD3 (0.42) ESR2KCNH2DRD3NR1H2GRM5
SCHEMBL2310022 0.74 NR1H2 (0.51) ESR2NR1H2GPR119USP2SMN1; SMN2
SCHEMBL4868205 0.73 ESR2 (0.46) ESR2KCNH2DRD3NR1H2GRM5
SCHEMBL19667705 0.71 ESR2 (0.51) ESR2NR1H2GRM5GPR119PARP1
SCHEMBL17462526 0.70 ESR2 (0.50) ESR2NR1H2GRM5GPR119USP2
SCHEMBL1294974 0.70 ESR2 (0.43) ESR2NR1H2GPR119USP2SMN1; SMN2
SCHEMBL2310232 0.70 ESR2 (0.48) ESR2KCNH2NR1H2GPR119USP2

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 ESR2 775/4885KCNH2 856/4885DRD3 1/4885

“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.