SCHEMBL254055

SCHEMBL254055

CCCc1cccc(CCC)c1N1[C]N(c2c(CCC)cccc2CCC)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 3/20 0.35
HTR2A P28223 3/20 0.35
LIPG Q9Y5X9 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
GRM5 P41594 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
KMT2A Q03164 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
SCHEMBL199876 0.76 DAO (0.37) DAOHTR2CHTR2BHTR2AGRM5
SCHEMBL2014395 0.74 DRD2 (0.39) DAOHTR2CHTR2BHTR2ALIPG
SCHEMBL16167311 0.71 DAO (0.36) DAOHTR2CHTR2BHTR2AADRA2A
Hydrochloric Acid SCHEMBL929583 0.69 DAO (0.35) DAOHTR2CHTR2BHTR2AADRA2A
SCHEMBL623217 0.69 ALDH1A1 (0.38) HTR2CHTR2BKMT2A
SCHEMBL151785 0.68 HTR2A (0.32) DAOHTR2CHTR2BHTR2AHTR1A
SCHEMBL25720743 0.66 HTR2C (0.44) HTR2CHTR2BHTR2AADRA2CHTR1A
SCHEMBL29488434 0.66 ADRA2B (0.44) DAOLIPGADRA2AADRA2BADRA2C
SCHEMBL142479 0.66 ADRA2B (0.44) DAOLIPGADRA2AADRA2BADRA2C
SCHEMBL3772536 0.65 MGLL (0.53) DAO

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US claimed
US-20110124755-A1 Polyisocyanurates AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-05-26 US claimed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US claimed
US-9974303-B2 Cationic polymers for antimicrobial applications and delivery of bioactive materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-22 US disclosed
US-9717797-B2 Polycarbonates bearing aromatic N-heterocycles for drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-08-01 US disclosed
US-9357772-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-06-07 US disclosed
EP-2983692-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES International Business Machines Corporation (US) 2016-02-17 EP disclosed
EP-2983679-A2 ANTIMICROBIAL CATIONIC POLYCARBONATES International Business Machines Corporation (US) 2016-02-17 EP disclosed
EP-2984117-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS International Business Machines Corporation (US) 2016-02-17 EP disclosed
US-20150157723-A1 POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-06-11 US disclosed
US-8962772-B2 Antimicrobial surface modified silicone rubber and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-02-24 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2011-11-03 US disclosed
US-20110243848-A1 STAR POLYMERS, METHODS OF PREPARATION THEREOF, AND USES THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-06 US disclosed
WO-2011078804-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-06-30 WO disclosed
WO-2011078803-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-06-30 WO disclosed
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20110151566-A1 BIODEGRADABLE POLYMERS, COMPLEXES THEREOF FOR GENE THERAPEUTICS AND DRUG DELIVERY, AND METHODS RELATED THERETO AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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 (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-20110243848-A1 STAR POLYMERS, METHODS OF PREPARATION THEREOF, AND USES THEREOF AS3MT, STARD7, MCM5 DAO 4773/4885HTR2C 4719/4885HTR2B 4649/4885
US-20150157723-A1 POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY PAH, SULT1E1, SULT1A1 DAO 1540/4885HTR2C 343/4885HTR2B 84/4885
US-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 DAO 274/4885HTR2C 1760/4885HTR2B 1854/4885
US-20110124755-A1 Polyisocyanurates SLC16A3, SLC16A8, METTL3 DAO 334/4885HTR2C 2175/4885HTR2B 1976/4885
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF MLEC, NOD2, PAM DAO 1054/4885HTR2C 3382/4885HTR2B 2137/4885
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM NOTUM, PFAS, PCNA DAO 2011/4885HTR2C 4019/4885HTR2B 4176/4885
US-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO SAMM50, ADRM1, UFM1 DAO 110/4885HTR2C 4494/4885HTR2B 1929/4885

“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.