SCHEMBL8260577

SCHEMBL8260577

CS(=O)(=O)n1cc(I)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.46
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PER2 O15055 7/20 0.38
CRY1 Q16526 7/20 0.38
CRY2 Q49AN0 7/20 0.38
HTR6 P50406 4/20 0.36

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
SCHEMBL15730221 0.82 HTR6 (0.46) HTR3AKDM4EALDH1A1PER2CRY1
SCHEMBL31315847 0.80 KLK7 (0.48) KDM4EHTR6
SCHEMBL15723791 0.78 HTR3A (0.46) HTR3AKDM4EALDH1A1PER2CRY1
SCHEMBL15556917 0.77 HTR3A (0.57) HTR3AKDM4EALDH1A1PER2CRY1
SCHEMBL17176277 0.77 HTR3A (0.57) HTR3APER2CRY1CRY2HTR6
SCHEMBL8253688 0.77 HTR3A (0.46) HTR3APER2CRY1CRY2HTR6
SCHEMBL20594170 0.77 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL14525150 0.77 HTR6 (0.46) HTR3APER2CRY1CRY2HTR6
SCHEMBL6181975 0.76 HTR6 (0.53) HTR3AKDM4EPER2HTR6
SCHEMBL1356160 0.74 KDM4E (0.57) KDM4EALDH1A1

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
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
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 HTR3A 11/4885KDM4E 1804/4885ALDH1A1 1558/4885

“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.