SCHEMBL3715809

SCHEMBL3715809

CCN(CC)CCC(C)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 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
SCHEMBL20284332 1.00 OPRM1 (0.42) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL29587619 0.94 OPRM1 (0.42) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL1272725 0.85 OPRM1 (0.41) OPRM1PLA2G1BPLA2G2AALDH1A1GABRP
SCHEMBL3856955 0.84 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL3856709 0.84 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL29881540 0.84 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL417108 0.84 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL12074464 0.84 PLA2G1B (0.35) OPRM1PLA2G1BPLA2G2A
SCHEMBL4708786 0.82 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1
Ammonia Solution, Strong SCHEMBL17473691 0.82 OPRM1 (0.48) OPRM1PLA2G1BPLA2G2ASIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458883-A Chlorine resistant polyethylene compounds and articles made therefrom 弗纳技术股份有限公司 2017-02-22 CN claimed
CN-103108918-B Method for manufacturing resin for thiourethane-based optical material using universal polyisocyanate compound, resin composition, and optical material manufactured thereby KOC SOLUTION CO LTD 2015-07-15 CN claimed
CN-103108918-A Method for manufacturing resin for thiourethane-based optical material using universal polyisocyanate compound, resin composition, and optical material manufactured thereby KOC SOLUTION CO LTD 2013-05-15 CN claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
EP-3351538-A1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS The United States of America, as represented by The Secretary of The Army, on behalf of Walter Reed Army Institute of Research (US) 2018-07-25 EP disclosed
EP-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 EP disclosed
US-9700562-B2 Triazine compounds and compositions thereof and methods for treating malaria and chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2017-07-11 US disclosed
US-20160340313-A1 COMPOUNDS, COMPOSITIONS AND ASSOCIATED METHODS COMPRISING 3-ARYL QUINOLINES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-11-24 US disclosed
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis WALTER REED ARMY INST OF RES THE USA AS REPRESENTED BY THE SEC OF THE ARMY ON BEHALF OF THE (US) 2016-07-28 US disclosed
US-9334246-B2 Substituted triazines for malaria treatment and chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2016-05-10 US disclosed
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-20150210652-A1 Substituted Triazines for Malaria Treatment and Chemoprophylaxis THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-07-30 US disclosed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 WO disclosed
EP-1075261-A1 MYCOBACTERIAL INHIBITORS AstraZeneca AB (SE) 2001-02-14 EP disclosed
WO-1999065483-A1 MYCOBACTERIAL INHIBITORS ASTRAZENECA AB (SE) 1999-12-23 WO disclosed
US-4676803-A Reactive azo dyestuffs, free from anionic groups and containing a basic group and halogenotriazinyl radical and useful for dyeing cellulose/polyester BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
US-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 US disclosed
EP-0022209-A2 Fluor-triazine dyestuffs and their use in dyeing cellulosic fibrous materials BAYER AG (DE) 1981-01-14 EP 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-20160340313-A1 COMPOUNDS, COMPOSITIONS AND ASSOCIATED METHODS COMPRISING 3-ARYL QUINOLINES CYP3A43, ABL1, CYP3A7 OPRM1 2580/4885PLA2G1B 2776/4885PLA2G2A 2207/4885
US-20150210652-A1 Substituted Triazines for Malaria Treatment and Chemoprophylaxis CYP3A5, HCCS, COX15 OPRM1 2648/4885PLA2G1B 4141/4885PLA2G2A 4457/4885
US-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 OPRM1 2663/4885PLA2G1B 3663/4885PLA2G2A 4370/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS OPRM1 2113/4885PLA2G1B 4427/4885PLA2G2A 4681/4885
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis HCCS, CYP3A5, COX15 OPRM1 3324/4885PLA2G1B 3403/4885PLA2G2A 3887/4885

“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.