SCHEMBL2598717

SCHEMBL2598717

CC1=C(C)N(c2c(C(C)C)cccc2C(C)C)CN1c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
TSHR P16473 2/20 0.41
GABRB2 P47870 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 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
SCHEMBL2900268 0.98 GABRA1 (0.40) GABRA1GABRG2GABRB3TSHRGABRB2
Hydrochloric Acid SCHEMBL818414 0.98 GABRA1 (0.40) GABRA1GABRG2GABRB3TSHRGABRB2
Bromide SCHEMBL2895695 0.98 GABRA1 (0.40) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL15826554 0.82 FAAH (0.43) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL760008 0.82 LMNA (0.40) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL30265954 0.82 FAAH (0.43) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL23344386 0.76 GABRA1 (0.35) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL21036086 0.76 ANPEP (0.41) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL2523158 0.76 GABRA1 (0.35) GABRA1GABRG2GABRB3TSHRGABRB2
Hydrochloric Acid SCHEMBL2528008 0.74 TSHR (0.34) GABRA1GABRG2GABRB3TSHRGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197983-A1 METHOD FOR THE PRODUCTION OF UNBRANCHED ACYCLIC OCTACTRIENES OXENO OLEFINCHEMIE GMBH (DE) 2010-08-05 US claimed
EP-1824802-B1 METHOD FOR THE PRODUCTION OF UNBRANCHED ACYCLIC OCTACTRIENES EVONIK OXENO GMBH (DE) 2009-06-17 EP claimed
US-9309344-B2 Process for preparing polymers by means of ring-opening polymerization EVONIK DEGUSSA GMBH (DE) 2016-04-12 US disclosed
US-20160031845-A1 IN-SITU GENERATION OF RUTHENIUM CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2016-02-04 US disclosed
US-20150299362-A1 PROCESS FOR PREPARING POLYMERS BY MEANS OF RING-OPENING POLYMERIZATION EVONIK INDUSTRIES AG (DE) 2015-10-22 US disclosed
EP-2933274-A1 Method for the production of polymers by means of ring-opening polymerisation Evonik Degussa GmbH (DE) 2015-10-21 EP disclosed
US-20150005457-A1 ANTIMICROBIAL SURFACE MODIFIED SILICONE RUBBER AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-01-01 US disclosed
EP-2574187-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris Biotechnologies, Inc. (US) 2013-04-03 EP disclosed
WO-2011146837-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris, Inc. (US) 2011-11-24 WO disclosed
US-20100197983-A1 METHOD FOR THE PRODUCTION OF UNBRANCHED ACYCLIC OCTACTRIENES OXENO OLEFINCHEMIE GMBH (DE) 2010-08-05 US disclosed
US-20100197983-A1 METHOD FOR THE PRODUCTION OF UNBRANCHED ACYCLIC OCTACTRIENES OXENO OLEFINCHEMIE GMBH (DE) 2010-08-05 US disclosed
US-20100197983-A1 METHOD FOR THE PRODUCTION OF UNBRANCHED ACYCLIC OCTACTRIENES OXENO OLEFINCHEMIE GMBH (DE) 2010-08-05 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 (2 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-20100197983-A1 METHOD FOR THE PRODUCTION OF UNBRANCHED ACYCLIC OCTACTRIENES JUN, OXER1, OSTC GABRA1 1321/4885GABRG2 1778/4885GABRB3 884/4885
US-20160031845-A1 IN-SITU GENERATION OF RUTHENIUM CATALYSTS FOR OLEFIN METATHESIS LOXL2, MLX, MCOLN2 GABRA1 3929/4885GABRG2 4344/4885GABRB3 4426/4885

“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.