SCHEMBL6135831

SCHEMBL6135831

CN(C)CCOc1cccc(N)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.49
HTR7 P34969 3/20 0.47
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
TIPARP Q7Z3E1 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6135828 0.79 RXFP1 (0.48) HTR1BHTR7ALDH1A1KDM4ETIPARP
SCHEMBL3893843 0.79 HTR7 (0.62) HTR1BHTR7DRD2DRD1DRD4
SCHEMBL4703459 0.78 HTR1B (0.54) HTR1BHTR7DRD2DRD1DRD4
SCHEMBL30806950 0.77 ALDH1A1 (0.51) HTR1BHTR7DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL8673602 0.77 HTR7 (0.61) HTR1BHTR7DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL3543848 0.76 HTR1B (0.53) HTR1BHTR7DRD2DRD1DRD4
SCHEMBL9437116 0.73 ALDH1A1 (0.54) ALDH1A1KDM4ENFE2L2SMN1; SMN2
SCHEMBL9868970 0.73 HTR1B (0.53) HTR1BHTR7DRD2DRD1DRD4
SCHEMBL12398619 0.73 KDM4E (0.54) HTR7ALDH1A1KDM4ERXFP1
SCHEMBL6317146 0.73 MAPT (0.41) ALDH1A1KDM4EKEAP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP claimed
US-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
EP-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP disclosed
US-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP disclosed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 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-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide UTS2R, SPINT2, PRSS2 HTR1B 736/4885HTR7 1152/4885DRD2 1138/4885

“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.