SCHEMBL8246256

SCHEMBL8246256

Cn1c(=O)oc2c(N3CCNCC3)cc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR3A P46098 3/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 4/20 0.38
DRD2 P14416 2/20 0.38
HTR6 P50406 4/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8255490 0.86 LMNA (0.42) USP2LMNANPSR1HTR1ADRD2
SCHEMBL8253231 0.84 KDR (0.39) HTR3AUSP2LMNAHTR1ADRD2
SCHEMBL8246237 0.78 DRD2 (0.55) ADRB1HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL5458668 0.77 HTR1A (0.54) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL9226988 0.72 ADRB1 (0.46) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8253107 0.72 ADRB1 (0.46) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL16932343 0.71 AHR (0.37) USP2LMNANPSR1TP53HTT
SCHEMBL30538040 0.71 AHR (0.37) USP2LMNANPSR1TP53HTT
Hydrochloric Acid SCHEMBL9224129 0.71 ADRB1 (0.45) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8259603 0.69 HTR1A (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101619-B2 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-01-24 US disclosed
US-8101619-B2 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-01-24 US disclosed
EP-1824479-B1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-11-05 EP disclosed
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-06-21 US disclosed
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-06-21 US disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
WO-2006061379-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 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 (3 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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A ADRB1 27/4885CHRM2 64/4885CHRM4 123/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A ADRB1 27/4885CHRM2 64/4885CHRM4 123/4885
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A ADRB1 41/4885CHRM2 99/4885CHRM4 160/4885

“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.