SCHEMBL1366932

SCHEMBL1366932

Clc1ccc(C2CC[N]C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.46
DRD2 P14416 1/20 0.41
SRD5A1 P18405 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRA1A P35348 1/20 0.38
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LSS P48449 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34

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
SCHEMBL482279 0.87 HTR3A (0.48) HTR3ADRD2SRD5A1SLC6A2SLC6A3
SCHEMBL2299312 0.82 HTR3A (0.47) HTR3ADRD2SRD5A1SLC6A2SLC6A3
SCHEMBL7110873 0.82 HTR3A (0.44) HTR3ADRD2SRD5A1SLC6A2SLC6A3
SCHEMBL5544343 0.80 HTR3A (0.47) HTR3ADRD2SRD5A1SLC6A2SLC6A3
SCHEMBL1366298 0.79 SLC18A3 (0.38) SLC18A3ALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL1365553 0.79 KDM1A (0.38) SLC6A2SLC6A3ALDH1A1SMN1; SMN2MAP1LC3B
SCHEMBL1367144 0.78 SLC18A3 (0.45) DRD2ADRA1ASLC18A3
SCHEMBL1366116 0.78 SLC18A3 (0.45) DRD2ADRA1ASLC18A3
SCHEMBL242194 0.78 SLC18A3 (0.45) DRD2ADRA1ASLC18A3
SCHEMBL1367733 0.77 ADRA1A (0.44) DRD2SLC6A2SLC6A3ADRA1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998934-A1 REMEDIES FOR INTRAMEDULLARY DISEASES TORAY INDUSTRIES, INC. (JP) 2000-05-10 EP claimed
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 US disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION (US) 2014-07-03 US disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP disclosed
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION 2011-11-24 US disclosed
US-8039471-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-7723349-B2 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION (US) 2010-05-25 US disclosed
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2009-05-14 US disclosed
US-6555529-B1 Administering (4-methylthiophenylthio)methane-1,1-bisphosphonic acid for treatment of bone marrow disorders such as inflammatory disease, myeloma, anemia, and leukemia TORAY INDUSTRIES, INC. (JP) 2003-04-29 US disclosed
EP-0998934-A1 REMEDIES FOR INTRAMEDULLARY DISEASES TORAY INDUSTRIES, INC. (JP) 2000-05-10 EP disclosed
EP-0272208-B1 AROMATICALLY SUBSTITUTED AZACYCLO-ALKYLALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
US-4871720-A Aromatically substituted azacycloalkyl-alkanediphosphonic acids useful for the treatment of illnesses that can be attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1989-10-03 US disclosed
EP-0272208-A1 Aromatically substituted azacyclo-alkylalkanediphosphonic acids CIBA-GEIGY AG (CH) 1988-06-22 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 (6 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-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 HTR3A 2943/4885DRD2 4083/4885SRD5A1 243/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 HTR3A 2943/4885DRD2 4083/4885SRD5A1 243/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 HTR3A 2943/4885DRD2 4083/4885SRD5A1 243/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 HTR3A 2943/4885DRD2 4083/4885SRD5A1 243/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 HTR3A 2943/4885DRD2 4083/4885SRD5A1 243/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 HTR3A 2943/4885DRD2 4083/4885SRD5A1 243/4885

“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.