SCHEMBL5653475

SCHEMBL5653475

O=C1CCc2ccc(O)cc2N1CCCCBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
DRD4 P21917 8/20 0.41
DRD3 P35462 8/20 0.41
CHRM1 P11229 7/20 0.40
CHRM2 P08172 6/20 0.40
CHRM4 P08173 6/20 0.40
CHRM5 P08912 6/20 0.40
CHRM3 P20309 6/20 0.40
GRIN1 Q05586 7/20 0.39
GRIN2B Q13224 7/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6721467 0.81 GRIN1 (0.42) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL14419535 0.80
SCHEMBL1764224 0.80 DRD2 (0.60) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL20257167 0.79 PBRM1 (0.43) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL4240939 0.79 CHRM1 (0.53) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5384961 0.78 DRD2 (0.59) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5654457 0.77
SCHEMBL4230639 0.76 CHRM1 (0.52) DRD2DRD4DRD3CHRM1GRIN1
SCHEMBL5389753 0.75 DRD2 (0.62) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL6721735 0.75 MTNR1A (0.46) CHRM1CHRM2CHRM4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213535-A1 Process for the manufacture of aripiprazole by using purified carbostyril compounds such as 7-(4-halobutoxy)-3,4-dihydro-2(1H)-quinolinones CHEMAGIS LTD. (IL) 2007-09-13 US disclosed
US-20070213535-A1 Process for the manufacture of aripiprazole by using purified carbostyril compounds such as 7-(4-halobutoxy)-3,4-dihydro-2(1H)-quinolinones CHEMAGIS LTD. (IL) 2007-09-13 US disclosed
US-20070213535-A1 Process for the manufacture of aripiprazole by using purified carbostyril compounds such as 7-(4-halobutoxy)-3,4-dihydro-2(1H)-quinolinones CHEMAGIS LTD. (IL) 2007-09-13 US disclosed
US-20060079689-A1 Processes for preparing and purifying carbostyril compounds such as aripiprazole and 7-(4-halobutoxy)-3,4-dihydro-2(1H)-quinolinones CHEMAGIS LTD. (IL) 2006-04-13 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 (2 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-20070213535-A1 Process for the manufacture of aripiprazole by using purified carbostyril compounds such as 7-(4-halobutoxy)-3,4-dihydro-2(1H)-quinolinones CYP3A4, CYP2J2, CYP2A7 DRD2 239/4885DRD4 143/4885DRD3 817/4885
US-20060079689-A1 Processes for preparing and purifying carbostyril compounds such as aripiprazole and 7-(4-halobutoxy)-3,4-dihydro-2(1H)-quinolinones HRH2, CYP2J2, HTR7 DRD2 370/4885DRD4 532/4885DRD3 1405/4885

“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.