SCHEMBL352937

SCHEMBL352937

c1ccc2c(c1)CC1CCC21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
HTR2A P28223 6/20 0.45
HTR2C P28335 6/20 0.45
HTR2B P41595 6/20 0.45
HRH3 Q9Y5N1 5/20 0.45
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KDM1A O60341 4/20 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
SCHEMBL461946 0.87 HTR2A (0.54) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7545824 0.85 HTR2A (0.53) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL16397357 0.79 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL2766554 0.79 HTR2A (0.50) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL29723594 0.79 HTR2A (0.50) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7932553 0.78 SIGMAR1 (0.53) SIGMAR1
Ammonia Solution, Strong SCHEMBL2786789 0.77 HTR2A (0.49) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL29613747 0.77 HTR2C (0.42) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7993604 0.77 SIGMAR1 (0.41) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL8244197 0.77 HTR2A (0.39) SIGMAR1HTR2AHTR2CHTR2BHRH3

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681209-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8765953-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
EP-1888562-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARM HOLDING (US) 2014-06-18 EP disclosed
US-8530453-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110257222-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. 2011-09-22 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
EP-1843820-A1 MULTICYCLIC BIS-AMIDE MMP INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2006-12-28 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
US-20060270701-A1 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
WO-2006083454-A1 MULTICYCLIC BIS-AMIDE MMP INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060173183-A1 Multicyclic bis-amide MMP inhibitors ALANTOS PHARMACEUTICALS, INC., 2006-08-03 US 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 (9 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 SIGMAR1 4742/4885HTR2A 1675/4885HTR2C 1853/4885
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, MMP10 SIGMAR1 3887/4885HTR2A 2553/4885HTR2C 2163/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 SIGMAR1 3986/4885HTR2A 2443/4885HTR2C 1552/4885
US-20060173183-A1 Multicyclic bis-amide MMP inhibitors MMP13, MMP3, MMP11 SIGMAR1 3114/4885HTR2A 1219/4885HTR2C 1325/4885
US-20060270701-A1 Dipeptidyl peptidase-IV inhibitors DPP4, DPP3, DPP7 SIGMAR1 4353/4885HTR2A 1763/4885HTR2C 1317/4885
US-20110257222-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP3, MMP9, MMP10 SIGMAR1 1060/4885HTR2A 1027/4885HTR2C 703/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 SIGMAR1 3986/4885HTR2A 2443/4885HTR2C 1552/4885
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases MMP9, MMP10, MMP3 SIGMAR1 694/4885HTR2A 250/4885HTR2C 272/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 SIGMAR1 4353/4885HTR2A 1763/4885HTR2C 1317/4885

“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.