SCHEMBL85784

SCHEMBL85784

NCCc1cc(Br)cc(C#Cc2cccc(C#Cc3cc(Br)cc(CCN)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.53
HTR2A P28223 2/20 0.41
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
PLAU P00749 1/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
FFAR1 O14842 4/20 0.33
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A2 P23975 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR3A P46098 1/20 0.33
BACE1 P56817 1/20 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
SCHEMBL10198677 0.91 TAAR1 (0.45) TAAR1HTR2ACYP2A6FFAR1
SCHEMBL10078124 0.88 TAAR1 (0.45) TAAR1HTR2ADRD2DRD1PLAU
SCHEMBL15805926 0.88 TAAR1 (0.42) TAAR1HTR2ADRD2DRD1PLAU
SCHEMBL10119152 0.83 TAAR1 (0.38) TAAR1
SCHEMBL10198719 0.80 TAAR1 (0.38) TAAR1FFAR1
SCHEMBL879554 0.77 TAAR1 (0.34) TAAR1PLAUASIC3FFAR1
SCHEMBL12279681 0.75 TAAR1 (0.56) TAAR1HTR2ADRD2DRD1CYP2A6
SCHEMBL15805863 0.74 PLAU (0.46) TAAR1HTR2ADRD2DRD1PLAU
SCHEMBL5705697 0.73 TAAR1 (0.60) TAAR1HTR2ADRD2DRD1CYP2A6
SCHEMBL13962406 0.73 TAAR1 (0.36) TAAR1FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093636-A1 Arylamide compounds and compositions and uses thereof INNOVATION PHARMACEUTICALS INC. 2021-04-01 US disclosed
US-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 US disclosed
US-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 US disclosed
US-10166232-B2 Arylamide compounds and compositions and uses thereof INNOVATION PHARMACEUTICALS INC. (US) 2019-01-01 US disclosed
US-9951097-B2 Antibacterial compounds targeting isoprenoid biosynthesis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-04-24 US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 EP disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 US disclosed
US-20100298344-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. 2010-11-25 US disclosed
US-7745662-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2010-06-29 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. (US) 2009-09-24 US disclosed
US-7553876-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2009-06-30 US disclosed
US-20090092574-A1 Ophthalmic And Otic Compositions Of Facially Amphiphilic Polymers And Oligomers And Uses Thereof MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2009-04-09 US disclosed
US-20090092574-A1 Ophthalmic And Otic Compositions Of Facially Amphiphilic Polymers And Oligomers And Uses Thereof MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2009-04-09 US disclosed
WO-2008083256-A2 OPHTHALMIC AND OTIC COMPOSITIONS OF FACIALLY AMPHIPHILIC POLYMERS AND OLIGOMERS AND USES THEREOF POLYMEDIX, INC. (US) 2008-07-10 WO 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 (11 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-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 TAAR1 4726/4885HTR2A 3984/4885DRD2 4827/4885
US-20100298344-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF TAAR1 4736/4885HTR2A 4728/4885DRD2 4391/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 TAAR1 2693/4885HTR2A 1915/4885DRD2 2506/4885
US-10166232-B2 Arylamide compounds and compositions and uses thereof AADAC, AAAS, AHR TAAR1 1342/4885HTR2A 897/4885DRD2 2389/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI TAAR1 4831/4885HTR2A 4059/4885DRD2 4696/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF TAAR1 4736/4885HTR2A 4728/4885DRD2 4391/4885
US-20090092574-A1 Ophthalmic And Otic Compositions Of Facially Amphiphilic Polymers And Oligomers And Uses Thereof OTC, OCIAD2, OCIAD1 TAAR1 3953/4885HTR2A 4001/4885DRD2 3457/4885
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF TAAR1 4736/4885HTR2A 4728/4885DRD2 4391/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 TAAR1 3166/4885HTR2A 1305/4885DRD2 4040/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI TAAR1 4831/4885HTR2A 4059/4885DRD2 4696/4885
US-20210093636-A1 Arylamide compounds and compositions and uses thereof AADAC, AAAS, AHR TAAR1 1342/4885HTR2A 897/4885DRD2 2389/4885

“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.