SCHEMBL3874553

SCHEMBL3874553

c1ccc2c(c1)CC1CNCCN1C2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.51
HTR2B P41595 13/20 0.51
HTR2A P28223 12/20 0.51
TAAR1 Q96RJ0 1/20 0.47
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL11639039 0.85 HTR2C (0.58) HTR2CHTR2BHTR2ASIGMAR1
SCHEMBL6646375 0.80 GRIN2B (0.55) HTR2CHTR2BHTR2ATAAR1
SCHEMBL13595398 0.79 TAAR1 (0.44) HTR2CHTR2BHTR2ATAAR1
Hydrochloric Acid SCHEMBL7511833 0.79 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL13119261 0.79 HTR2C (0.53) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL2224880 0.78 HPGD (0.54) HTR2CHTR2BHTR2ATAAR1
SCHEMBL29501433 0.77 SLC18A3 (0.50) HTR2CHTR2BHTR2ATAAR1
SCHEMBL14069048 0.77 HTR2C (0.46) HTR2CHTR2BHTR2ATAAR1
SCHEMBL13595219 0.76 TAAR1 (0.42) HTR2CHTR2BHTR2ATAAR1SIGMAR1
Hydrochloric Acid SCHEMBL4410185 0.75 TAAR1 (0.41) HTR2CHTR2BHTR2ATAAR1SIGMAR1

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-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
EP-1746100-A1 ANNELATED CARBAMOYLASE-HETEROCYCLES, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE PRODUCTION THEREOF "Chemical diversity Research Institute", Ltd. (RU) 2007-01-24 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 HTR2C 2836/4885HTR2B 2254/4885HTR2A 3638/4885
US-20070010521-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B HTR2C 2836/4885HTR2B 2254/4885HTR2A 3638/4885
US-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B HTR2C 2836/4885HTR2B 2254/4885HTR2A 3638/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B HTR2C 3379/4885HTR2B 2925/4885HTR2A 4186/4885

“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.