SCHEMBL386254

SCHEMBL386254

Clc1ccc2c(c1)C=[C]C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 4/20 0.36
PNMT P11086 1/20 0.34
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
METAP1 P53582 1/20 0.32
TP53 P04637 1/20 0.32
F7 P08709 1/20 0.32
PARP1 P09874 1/20 0.32
F3 P13726 1/20 0.32
PARP10 Q53GL7 1/20 0.32
KDM1A O60341 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
HTR5A P47898 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7790645 0.83 AHR (0.37) HTR2AHTR2CHTR2BPNMTAHR
SCHEMBL387117 0.74 ADRA2A (0.35) HTR2AHTR2CPARP1PARP10KDM1A
SCHEMBL7790742 0.74 TRPA1 (0.40) HTR2AHTR2CHTR2BPNMTCMA1
SCHEMBL209136 0.65 AHR (0.39) HTR2CAHRALDH1A1SMN1; SMN2ADRA2A
SCHEMBL8343541 0.65 TRPA1 (0.34) PARP1TSHR
SCHEMBL20528826 0.65 TRPA1 (0.34) PARP1TSHR
SCHEMBL7794531 0.65 CYP1A2 (0.33) METAP1TP53PARP1PARP10HTR5A
SCHEMBL9413877 0.64
SCHEMBL2280630 0.62 HTR2A (0.42) HTR2AHTR2CHTR2BPNMTCMA1
SCHEMBL1786889 0.62 HTR2C (0.38) HTR2AHTR2CHTR2BPNMTCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 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 (7 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HTR2A 2199/4885HTR2C 858/4885HTR2B 1279/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT HTR2A 3282/4885HTR2C 3763/4885HTR2B 3103/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HTR2A 2199/4885HTR2C 858/4885HTR2B 1279/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 HTR2A 2770/4885HTR2C 2073/4885HTR2B 2165/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB HTR2A 1571/4885HTR2C 1040/4885HTR2B 1699/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 HTR2A 3250/4885HTR2C 3202/4885HTR2B 3095/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A HTR2A 1543/4885HTR2C 1554/4885HTR2B 1305/4885

“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.