SCHEMBL3134734

SCHEMBL3134734

CCOc1cccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 12/20 0.71
▸ ADRA1A P35348 2/20 0.67
▸ DRD4 P21917 2/20 0.61
▸ DRD3 P35462 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ CACNA1F O60840 1/20 0.61
▸ KCNK2 O95069 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ ADRB2 P07550 1/20 0.61
▸ CHRM2 P08172 1/20 0.61
▸ CHRM4 P08173 1/20 0.61
▸ ABCB1 P08183 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HTR1A P08908 1/20 0.61
▸ CHRM5 P08912 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61

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
SCHEMBL3139402 0.90 DRD2 (0.73) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL3138435 0.86 DRD2 (0.72) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL3137582 0.84 DRD2 (0.75) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL9050736 0.82 DRD2 (1.00) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL8986015 0.82 DRD2 (0.82) DRD2ADRA1ADRD4DRD3MEN1
Chlorohaloperidol SCHEMBL4112719 0.81 DRD2 (1.00) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL3139717 0.81 DRD2 (0.73) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL11793314 0.80 DRD2 (0.83) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL11796046 0.78 DRD2 (0.88) DRD2ADRA1ADRD4DRD3MEN1
SCHEMBL20248950 0.78 DRD2 (0.88) DRD2ADRA1ADRD4DRD3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2010-01-07 — — US claimed
EP-1874730-A4 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC (CA) 2009-06-10 — — EP claimed
EP-1874730-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES Clera Inc. (CA) 2008-01-09 — — EP claimed
WO-2007118325-A1 ENHANCEMENT OF MEMORY AND/OR COGNITION USING SUBSTITUTED BUTYROPHENONE COMPOUNDS CLERA INC. (CA) 2007-10-25 — — WO claimed
WO-2006116848-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2006-11-09 — — WO claimed
US-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2010-01-07 — — US disclosed
EP-1874730-A4 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC (CA) 2009-06-10 — — EP disclosed
EP-1874730-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES Clera Inc. (CA) 2008-01-09 — — EP disclosed
WO-2006116848-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES CLERA INC. (CA) 2006-11-09 — — WO 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-20100004289-A1 SUBSTITUTED BUTYROPHENONE DERIVATIVES DBH, SLC6A3, GABBR1 DRD2 12/4885ADRA1A 513/4885DRD4 5/4885

“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.

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