SCHEMBL2286649

SCHEMBL2286649

CCC(N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
TACR1 P25103 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CES2 O00748 1/20 0.44
ACP3 P15309 1/20 0.44
MC4R P32245 1/20 0.44

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
SCHEMBL29707581 1.00 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1727844 1.00 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1730002 1.00 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL2399603 0.86 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL12065005 0.86 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL734654 0.84 PNMT (0.67) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL20792210 0.84 PNMT (0.67) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1730600 0.83 EPHX1 (0.51) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1730389 0.83 EPHX1 (0.51) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL20993283 0.83 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4125840-A1 COMPOUNDS FOR USE IN THE TREATMENT OF SYNUCLEINOPATHIES Som Innovation Biotech, S.A. (ES) 2023-02-08 EP disclosed
CN-114805342-A Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and use thereof 赛弗卢尔生命科学公司 2022-07-29 CN disclosed
WO-2019233457-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 WO disclosed
WO-2019233456-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 WO disclosed
CN-108883399-A Fenfluramine composition and preparation method thereof 周格尼克斯国际有限公司 2018-11-23 CN disclosed
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
CN-105980381-A Substituted uracils and use thereof 拜耳医药股份有限公司 2016-09-28 CN disclosed
WO-2013104577-A1 BENZIMIDAZOLYL-ACETAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS ACESION PHARMA APS (DK) 2013-07-18 WO disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
US-7338968-B2 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION (US) 2008-03-04 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 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 (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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 PNMT 4846/4885HTR2A 1287/4885HTR2B 761/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 PNMT 4808/4885HTR2A 3747/4885HTR2B 2523/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 PNMT 4808/4885HTR2A 3747/4885HTR2B 2523/4885
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF UNG, UMPS, TYMP PNMT 1226/4885HTR2A 3904/4885HTR2B 3245/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 PNMT 4857/4885HTR2A 1740/4885HTR2B 1023/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 PNMT 2124/4885HTR2A 1119/4885HTR2B 97/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 PNMT 2124/4885HTR2A 1119/4885HTR2B 97/4885

“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.