SCHEMBL744001

SCHEMBL744001

CN(C)CCN1Cc2cccc3c2c(cn3S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.53
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR1F P30939 2/20 0.50
HTR7 P34969 2/20 0.50
DRD3 P35462 2/20 0.50

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
Trifluoroacetic Acid SCHEMBL742626 0.92 HTR6 (0.46) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL739874 0.84 HTR6 (0.58) HTR6DRD2DRD3
SCHEMBL742701 0.83 HTR6 (0.62) HTR6HTR1ADRD2
SCHEMBL742305 0.78 HTR6 (0.54) HTR6DRD2DRD3
Hydrochloric Acid SCHEMBL742236 0.77 HTR6 (0.53) HTR6DRD2DRD3
Trifluoroacetic Acid SCHEMBL765583 0.77 HTR6 (0.50) HTR6DRD2DRD3
SCHEMBL740236 0.76 HTR6 (0.57) HTR6HTR1ADRD2DRD3
SCHEMBL741618 0.76 HTR6 (0.57) HTR6HTR1ADRD2DRD3
SCHEMBL741832 0.75 HTR6 (0.48) HTR6
Hydrochloric Acid SCHEMBL744058 0.75 HTR6 (0.56) HTR6HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US claimed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US claimed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US claimed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 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 (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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B HTR6 1/4885HTR1A 2/4885DRD2 40/4885
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B HTR6 995/4885HTR1A 1051/4885DRD2 2790/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B HTR6 995/4885HTR1A 1051/4885DRD2 2790/4885

“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.