SCHEMBL3872665

SCHEMBL3872665

COc1cc2c(cc1OC)C(c1ccccc1)N1CCNC(C(=O)COCc3ccccc3)C1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38

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 SCHEMBL3875720 0.87 TRPV1 (0.48) TRPV1ALDH1A1LMNANPC1MITF
Hydrochloric Acid SCHEMBL3882722 0.86 TRPV1 (0.48) TRPV1ALDH1A1LMNANPC1MITF
SCHEMBL3880751 0.81 TRPV1 (0.43) TRPV1ALDH1A1LMNANPC1MITF
SCHEMBL3872656 0.76 ALDH1A1 (0.48) TRPV1ALDH1A1LMNANPC1MITF
SCHEMBL3872658 0.70 ALDH1A1 (0.45) TRPV1ALDH1A1LMNANPC1MITF
SCHEMBL3872517 0.68 TRPV1 (0.49) TRPV1ALDH1A1LMNANPC1MITF
Hydrochloric Acid SCHEMBL3874607 0.67 TRPV1 (0.48) TRPV1ALDH1A1LMNANPC1MITF
Hydrochloric Acid SCHEMBL3883795 0.67 TRPV1 (0.48) TRPV1ALDH1A1LMNANPC1MITF
SCHEMBL5463056 0.67 TRPV1 (0.72) TRPV1ALDH1A1LMNANPC1MITF
Hydrochloric Acid SCHEMBL3874613 0.67 TRPV1 (0.51) TRPV1ALDH1A1LMNANPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 508/4885ALDH1A1 1111/4885LMNA 2626/4885
US-20070010521-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B TRPV1 508/4885ALDH1A1 1111/4885LMNA 2626/4885
US-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B TRPV1 508/4885ALDH1A1 1111/4885LMNA 2626/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B TRPV1 771/4885ALDH1A1 560/4885LMNA 3050/4885

“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.