SCHEMBL3879166

SCHEMBL3879166

COc1cc2c(cc1OC)C(c1ccc(OC(C)C)cc1)N1CCNCC1C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.42
MDM4 O15151 8/20 0.42
HTR2C P28335 4/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.39
HTR6 P50406 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 2/20 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
Hydrochloric Acid SCHEMBL3883231 0.99 MDM2 (0.42) MDM2MDM4HTR2CHTR2AHTR2B
SCHEMBL3873922 0.85 TRPV1 (0.51) HTR2CHTR2AHTR2BHTR6TRPV1
SCHEMBL3872517 0.85 TRPV1 (0.49) HTR2CHTR2AHTR2BHTR6SMN1; SMN2
Hydrochloric Acid SCHEMBL3883795 0.84 TRPV1 (0.48) HTR2CHTR2AHTR2BHTR6SMN1; SMN2
Hydrochloric Acid SCHEMBL3874607 0.84 TRPV1 (0.48) HTR2CHTR2AHTR2BHTR6SMN1; SMN2
SCHEMBL3980738 0.76 MEN1 (0.49) HTR2CHTR2AHTR2BHTR6TRPV1
SCHEMBL11749065 0.69 MEN1 (0.53) TRPV1
SCHEMBL11749061 0.69 MEN1 (0.53) TRPV1
Hydrochloric Acid SCHEMBL3875713 0.67 TRPV1 (0.35) HTR2CHTR2AHTR2BHTR6SMN1; SMN2
Hydrochloric Acid SCHEMBL3882718 0.67 TRPV1 (0.35) HTR2CHTR2AHTR2BHTR6SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550464-B2 Use of phosphodiesterase 4 inhibitors such as 8,9-dimethoxy-6-phenyl-1,3,4,6,11,11a-hexahydro-2H -pyrazino[1,2-b]isoquinoline for treating asthma, chronic obstructive pulmonary disease, atopic dermatitis, allergic rhinitis, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis MITSUBISHI TANBE PHARMA CORPORATION (JP) 2009-06-23 US claimed
EP-1424326-B1 FUSED-POLYCYCLIC COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-05-28 EP claimed
US-20070010521-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-11 US claimed
US-7153859-B2 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2006-12-26 US claimed
US-20040204418-A1 Fused-polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2004-10-14 US claimed
EP-1424326-A1 FUSED-POLYCYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-06-02 EP claimed
US-7550475-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550476-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550464-B2 Use of phosphodiesterase 4 inhibitors such as 8,9-dimethoxy-6-phenyl-1,3,4,6,11,11a-hexahydro-2H -pyrazino[1,2-b]isoquinoline for treating asthma, chronic obstructive pulmonary disease, atopic dermatitis, allergic rhinitis, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis MITSUBISHI TANBE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
EP-1424326-B1 FUSED-POLYCYCLIC COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-05-28 EP disclosed
US-20070010521-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-11 US disclosed
US-20070004739-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-20070004740-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-7153859-B2 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2006-12-26 US disclosed
US-20040204418-A1 Fused-polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2004-10-14 US disclosed
EP-1424326-A1 FUSED-POLYCYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-06-02 EP 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 (4 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-20070004740-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B MDM2 4859/4885MDM4 3368/4885HTR2C 2836/4885
US-20070010521-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B MDM2 4859/4885MDM4 3368/4885HTR2C 2836/4885
US-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B MDM2 4859/4885MDM4 3368/4885HTR2C 2836/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B MDM2 4855/4885MDM4 3531/4885HTR2C 3379/4885

“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.