SCHEMBL8259649

SCHEMBL8259649

Cn1cc(CCCI)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
HTR1D P28221 1/20 0.43
CDK2 P24941 1/20 0.43
KCNH2 Q12809 2/20 0.43
SNCA P37840 1/20 0.43
KMT2A Q03164 2/20 0.42
HTR6 P50406 1/20 0.42
RXFP1 Q9HBX9 2/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14155127 0.86 KCNH2 (0.50) ADRB2HTR1DCDK2KCNH2SNCA
SCHEMBL8259256 0.85 ADRB2 (0.46) ADRB2HTR1DCDK2KCNH2SNCA
SCHEMBL14664390 0.83 KCNH2 (0.59) ADRB2HTR1DCDK2KCNH2SNCA
SCHEMBL7723955 0.82 KDM4E (0.48) ADRB2HTR1DKCNH2SNCAKMT2A
SCHEMBL379053 0.81 ADRB2 (0.64) ADRB2HTR1DCDK2KCNH2SNCA
SCHEMBL6242735 0.81 CDK2 (0.47) ADRB2HTR1DCDK2KCNH2SNCA
Hydrochloric Acid SCHEMBL7681619 0.80 ADRB2 (0.62) ADRB2HTR1DCDK2KCNH2SNCA
SCHEMBL18015812 0.79 KCNH2 (0.57) ADRB2HTR1DCDK2KCNH2SNCA
SCHEMBL14302712 0.79 SNCA (0.53) ADRB2HTR1DCDK2KCNH2SNCA
SCHEMBL11165491 0.78 KMT2A (0.43) ADRB2HTR1DCDK2KCNH2SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 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
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

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-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A ADRB2 20/4885HTR1D 12/4885CDK2 1188/4885

“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.