SCHEMBL3873922

SCHEMBL3873922

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.51
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 5/20 0.49
THRB P10828 1/20 0.46
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
HTR2C P28335 4/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
HTR6 P50406 2/20 0.39
KDM4C Q9H3R0 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
SCHEMBL3872517 0.89 TRPV1 (0.49) TRPV1CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL3874607 0.88 TRPV1 (0.48) TRPV1CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL3883795 0.88 TRPV1 (0.48) TRPV1CA1CA2CA9CA14
SCHEMBL3879166 0.85 MDM2 (0.42) TRPV1HTR2CHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL3883231 0.84 MDM2 (0.42) TRPV1HTR2CHTR2AHTR2BHTR6
SCHEMBL3980738 0.83 MEN1 (0.49) TRPV1THRBHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3872232 0.70 TRPV1 (0.46) TRPV1CA1CA2CA9CA14
SCHEMBL6692817 0.68 HTR2C (0.45) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3882718 0.68 TRPV1 (0.35) TRPV1CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL3875713 0.68 TRPV1 (0.35) TRPV1CA1CA2CA9CA14

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 TRPV1 508/4885CA1 1254/4885CA2 58/4885
US-20070010521-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B TRPV1 508/4885CA1 1254/4885CA2 58/4885
US-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B TRPV1 508/4885CA1 1254/4885CA2 58/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B TRPV1 771/4885CA1 785/4885CA2 64/4885

“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.