SCHEMBL1201800

SCHEMBL1201800

C1=CC2CCC1c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR2C P28335 4/20 0.34
IDO1 P14902 2/20 0.33
PDPK1 O15530 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRCP P42785 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL13815519 1.00 HTR2A (0.35) HTR2ACHRNB4CHRNA3HTR2CIDO1
SCHEMBL853286 0.81 CHRNB4 (0.40) HTR2ACHRNB4CHRNA3SLC6A2SLC6A3
SCHEMBL9143636 0.73 RECQL (0.42) HTR2CCYP1A2CYP2D6HTR1ASLC6A2
SCHEMBL9144960 0.73 RECQL (0.42) HTR2CCYP1A2CYP2D6HTR1ASLC6A2
SCHEMBL28829153 0.69 CHRNB4 (0.37) CHRNB4CHRNA3HTR2CIDO1PDPK1
SCHEMBL13116589 0.68 CHRNB4 (0.35) CHRNB4CHRNA3PRCP
SCHEMBL13116588 0.68 TSHR (0.33)
SCHEMBL3425103 0.67 CHRNB4 (0.50) CHRNB4CHRNA3HTR2CIDO1PDPK1
SCHEMBL6940509 0.67 CHRNB4 (0.50) CHRNB4CHRNA3HTR2CIDO1PDPK1
SCHEMBL4952572 0.67 HTR2A (0.41) HTR2ASLC6A2SLC6A4SLC6A3

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
EP-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US disclosed
US-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 US disclosed
US-7910732-B2 Oxidation of metal anode; complexing metal with terephthalic acid, naphthalenedicarboxylic acid, isophthalic acid, biphenyldicarboxylic acid, p-carboxycinnamic acid, fumaric acid, and/or anthracenedicarboxylic acid and another heteroorganic compound; gas storage and separation; coordination catalysts BASF AKTIENGESELLSCHAFT (DE) 2011-03-22 US disclosed
US-7879221-B2 oxidation of anode comprising metal corresponding to metal ion in reaction medium in the presence of organic compound which is optionally substituted mono, bi, or polycyclic hydrocarbon in which two ring carbons have been replaced by N,O, or S, reaction of product with di, tri, or tetracarboxylic acid BASF SE (DE) 2011-02-01 US disclosed
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
EP-2049550-B1 METHOD FOR PRODUCING COPPER-CONTAINING ORGANOMETALLIC FRAMEWORK MATERIAL BASF SE (DE) 2010-01-06 EP disclosed
US-20090306420-A1 PROCESS FOR PREPARING COPPER-COMPRISING METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-12-10 US disclosed
EP-2027307-B1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-11-04 EP disclosed
CN-101516894-A Method for producing copper-containing organometallic framework material BASF AG (DE) 2009-08-26 CN disclosed
US-20090171107-A1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-07-02 US disclosed
CN-101473069-A Method for preparing porous metal organic framework material BASF AG (DE) 2009-07-01 CN disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 US disclosed
US-20080214806-A1 Method For Producing Porous Metal-Organic Framework Materials BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
EP-1888817-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2006125761-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
US-7094625-B2 Field effect transistor and method of producing the same CANON KABUSHIKI KAISHA (JP) 2006-08-22 US disclosed
US-20060099732-A1 Field effect transistor and method of producing the same CANON KABUSHIKI KAISHA (JP) 2006-05-11 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 (5 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-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1E, CACNA1B, CACNB1 HTR2A 1332/4885CHRNB4 215/4885CHRNA3 207/4885
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 HTR2A 2192/4885CHRNB4 4782/4885CHRNA3 3731/4885
US-20090171107-A1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS OSTC, OGDH, SCO2 HTR2A 1630/4885CHRNB4 3498/4885CHRNA3 3209/4885
US-20080214806-A1 Method For Producing Porous Metal-Organic Framework Materials SLCO4C1, GIGYF2, SLCO2A1 HTR2A 2340/4885CHRNB4 4141/4885CHRNA3 4164/4885
US-20090306420-A1 PROCESS FOR PREPARING COPPER-COMPRISING METAL ORGANIC FRAMEWORKS AOC1, AOC2, AOC3 HTR2A 4240/4885CHRNB4 4363/4885CHRNA3 3962/4885

“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.