SCHEMBL11796046

SCHEMBL11796046

Cc1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.88
ADRA1A P35348 3/20 0.88
DRD4 P21917 3/20 0.79
DRD3 P35462 3/20 0.79
HTR1A P08908 2/20 0.79
ADRA2A P08913 2/20 0.79
ADRA2B P18089 2/20 0.79
ADRA2C P18825 2/20 0.79
HTR2A P28223 2/20 0.79
HTR2C P28335 2/20 0.79
HRH1 P35367 2/20 0.79
ADRA1B P35368 2/20 0.79
MEN1 O00255 1/20 0.79
CACNA1F O60840 1/20 0.79
KCNK2 O95069 1/20 0.79
ABCB11 O95342 1/20 0.79
CYP1A2 P05177 1/20 0.79
ADRB2 P07550 1/20 0.79
CHRM2 P08172 1/20 0.79
CHRM4 P08173 1/20 0.79

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
SCHEMBL20248950 1.00 DRD2 (0.88) DRD2ADRA1ADRD4DRD3HTR1A
Chlorohaloperidol SCHEMBL4112719 0.94 DRD2 (1.00) DRD2ADRA1ADRD4DRD3HTR1A
SCHEMBL20248952 0.94 DRD2 (0.88) DRD2ADRA1ADRD4DRD3HTR1A
SCHEMBL11796338 0.88 DRD2 (0.88) DRD2ADRA1ADRD4DRD3HTR1A
SCHEMBL20652955 0.88 DRD2 (0.88) DRD2ADRA1ADRD4DRD3HTR1A
Haloperidol SCHEMBL5070670 0.88 DRD2 (1.00) DRD2ADRA1ADRD4DRD3HTR1A
SCHEMBL20254453 0.88 DRD2 (1.00) DRD2ADRA1ADRD4DRD3HTR1A
Haloperidol SCHEMBL8264 0.88 DRD2 (1.00) DRD2ADRA1ADRD4DRD3HTR1A
Moperone SCHEMBL34340 0.88 DRD2 (1.00) DRD2ADRA1ADRD4DRD3HTR1A
SCHEMBL20248954 0.88 DRD2 (0.79) DRD2ADRA1ADRD4DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2014-10-02 US disclosed
US-3936468-A PSYCHOTROPIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-02-03 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-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E DRD2 1331/4885ADRA1A 1704/4885DRD4 929/4885

“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.