SCHEMBL4289906

SCHEMBL4289906

N#CC1CCc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
HTR1A P08908 6/20 0.39
SIGMAR1 Q99720 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 4/20 0.37
SSTR4 P31391 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29644533 1.00 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL5695479 1.00 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7948821 0.81 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL95677 0.81 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
Iodide SCHEMBL29719539 0.79 MAOB (0.37) SIGMAR1NISCHCHRM2CHRM4CHRM5
SCHEMBL5845061 0.76 ESR1 (0.56)
SCHEMBL28452012 0.76 HTR2C (0.48) HTR1AADRA2AADRA2BADRA2CHTR1D
SCHEMBL460126 0.75 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL30070640 0.75 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL29462397 0.74 CA2 (0.46) CA2HTR1ASIGMAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115142-B1 CHROMAN COMPOUNDS ICI AMERICAS INC. (US) 1986-11-05 EP claimed
EP-0115142-A1 Chroman compounds ICI AMERICAS INC. (US) 1984-08-08 EP claimed
CN-108383822-A The preparation method of the chloro- 1- of 2- (the fluoro- 3,4- dihydros -2H-1- chromenes -2- bases of 6-) ethyl ketone 浙江车头制药股份有限公司 2018-08-10 CN disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed
EP-0707007-B1 (R)-(-)-2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GMBH (DE) 2001-12-12 EP disclosed
EP-1123933-A1 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GmbH (DE) 2001-08-16 EP disclosed
US-5767132-A CENTRAL NERVOUS SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-06-16 US disclosed
EP-0707007-A1 Amino(thio)ether derivatives as CNS active agents MERCK PATENT GmbH (DE) 1996-04-17 EP disclosed
EP-0115142-B1 CHROMAN COMPOUNDS ICI AMERICAS INC. (US) 1986-11-05 EP disclosed
EP-0115142-A1 Chroman compounds ICI AMERICAS INC. (US) 1984-08-08 EP disclosed
US-4268446-A REACTING A HYDROQUINONE, LEWIS ACID OR BASE DERIVATIVE AND A NITRILE IN THE PRESENCE OF AN INERT SOLVENT BASF AKTIENGESELLSCHAFT (DE) 1981-05-19 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 (3 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 CA2 1204/4885HTR1A 1992/4885SIGMAR1 846/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 CA2 1204/4885HTR1A 1992/4885SIGMAR1 846/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S CA2 2607/4885HTR1A 633/4885SIGMAR1 358/4885

“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.