SCHEMBL4650820

SCHEMBL4650820

N#CCc1cc(F)ccc1COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.52
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.36
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL4650715 0.84 FFAR4 (0.60) FFAR4HRH3KCNH2ALDH1A1MAPT
SCHEMBL4650030 0.84 FFAR4 (0.55) FFAR4HRH3KCNH2MAOBHTR2A
SCHEMBL4651759 0.82 FFAR4 (0.56) FFAR4HRH3KCNH2MAOBHTR2A
SCHEMBL14066051 0.81 FFAR4 (0.45) FFAR4KCNH2ALDH1A1LMNAMAPT
SCHEMBL6430133 0.77 FFAR4 (0.52) FFAR4HRH3KCNH2MAOBSLC6A4
SCHEMBL6430135 0.77 FFAR4 (0.53) FFAR4HRH3MAOB
SCHEMBL4928507 0.74 FFAR4 (0.55) FFAR4HRH3ALDH1A1MAPTSMN1; SMN2
SCHEMBL6699132 0.72 FFAR4 (0.44) FFAR4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4936500 0.70 FFAR4 (0.57) FFAR4HRH3
SCHEMBL26154119 0.69 MAOB (0.56) FFAR4HRH3KCNH2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368302-B1 NOVEL AMINO DICARBOXYLIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-09-10 EP disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-20050288366-A1 Novel aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-12-29 US disclosed
US-6939990-B2 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed
EP-1368302-A1 NOVEL AMINO DICARBOXYLIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070459-A1 NOVEL AMINO DICARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 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 (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-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties SDHA, GOT2, MDH2 FFAR4 806/4885HRH3 1192/4885KCNH2 2011/4885
US-20050288366-A1 Novel aminodicarboxylic acid derivatives DDC, DAO, AADAT FFAR4 816/4885HRH3 2214/4885KCNH2 4450/4885

“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.