SCHEMBL2766554

SCHEMBL2766554

c1ccc2c(c1)CC1CC21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.50
HTR2C P28335 6/20 0.50
HTR2B P41595 6/20 0.50
HRH3 Q9Y5N1 5/20 0.50
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
KDM1A O60341 4/20 0.41

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
SCHEMBL29723594 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3GRIN2D
Ammonia Solution, Strong SCHEMBL2786789 0.98 HTR2A (0.49) HTR2AHTR2CHTR2BHRH3GRIN2D
Hydrochloric Acid SCHEMBL8521423 0.96 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3GRIN2D
Bromide SCHEMBL7360884 0.96 HTR2A (0.47) HTR2AHTR2CHTR2BHRH3GRIN2D
Hydrochloric Acid SCHEMBL7424402 0.96 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3GRIN2D
Acetamide SCHEMBL4960612 0.85 HTR2A (0.44) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL11328530 0.83 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL352937 0.79 SIGMAR1 (0.47) HTR2AHTR2CHTR2BHRH3GRIN2D
4-Dimethylaminophenol SCHEMBL17609160 0.79 HTR2A (0.46) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL28392676 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BHRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403936-B2 Method for preparing a pitch for carbon fibers and a pitch for carbon fibers prepared by the same GS CALTEX CORPORATION (KR) 2016-08-02 US disclosed
US-20160090441-A1 METHOD FOR PREPARING A PITCH FOR CARBON FIBERS AND A PITCH FOR CARBON FIBERS PREPARED BY THE SAME GS CALTEX CORPORATION (KR) 2016-03-31 US disclosed
US-20140346085-A1 METHOD OF PREPARING PITCH FOR CARBON FIBER GS CALTEX CORPORATION (KR) 2014-11-27 US disclosed
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
WO-2008051382-A2 METHOD OF MAKING A SOLVENT FROM RUBBER TIRES NATURAL RESOURCE RECOVERY, INC. (US) 2008-05-02 WO disclosed
US-20080096787-A1 from waste tires comprising heating tire particles in an enclosures to generate hydrocarbon vapors rich in limonene and naphthalene, and carbon black solids NATURAL RESOURCE RECOVERY, INC. 2008-04-24 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
WO-2007079133-A2 SYSTEM AND METHOD FOR RECYCLING WASTE INTO ENERGY NATURAL RESOURCE RECOVERY, INC. (US) 2007-07-12 WO disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
EP-1476433-B1 NOVEL TRICYCLOIMIDAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2005-11-09 EP disclosed
US-20050107455-A1 Novel tricycloimidazoline derivatives method for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2005-05-19 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 (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-20050107455-A1 Novel tricycloimidazoline derivatives method for production and use thereof as medicaments CYP4F3, HRH4, SLCO1B3 HTR2A 1947/4885HTR2C 497/4885HTR2B 1178/4885
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 HTR2A 1494/4885HTR2C 1355/4885HTR2B 1115/4885
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 HTR2A 1214/4885HTR2C 1790/4885HTR2B 1338/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 HTR2A 1246/4885HTR2C 1820/4885HTR2B 1358/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 HTR2A 1246/4885HTR2C 1820/4885HTR2B 1358/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 HTR2A 1329/4885HTR2C 1881/4885HTR2B 1438/4885

“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.