SCHEMBL1844734

SCHEMBL1844734

O=C(O)C1CCc2c(OCc3ccccc3)cccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
FABP4 P15090 1/20 0.48
LIPG Q9Y5X9 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
AGTR2 P50052 1/20 0.46
RXRB P28702 5/20 0.45
RXRA P19793 4/20 0.45
RXRG P48443 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SGMS2 Q8NHU3 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1844378 0.92 LIPG (0.52) MAOAMAOBFABP4LIPGHTR1A
SCHEMBL4760329 0.92 LIPG (0.52) MAOAMAOBFABP4LIPGHTR1A
Hydrochloric Acid SCHEMBL4758894 0.91 LIPG (0.52) MAOAMAOBFABP4LIPGHTR1A
SCHEMBL3029194 0.86 AGTR2 (0.50) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL4760821 0.82 LIPG (0.47) MAOAMAOBLIPGAGTR2RXRB
SCHEMBL4758888 0.82 LIPG (0.51) MAOAMAOBLIPGHTR1ASLC6A2
SCHEMBL1746528 0.82 MAOB (0.58) MAOAMAOBLIPGHTR1ASLC6A2
SCHEMBL1845044 0.79 HTR1A (0.45) FABP4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11125707 0.79 KDM4C (0.44) HTR1ASLC6A2SLC6A4SLC6A3AGTR2
SCHEMBL1847083 0.79 PIN1 (0.52) HTR1AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
CN-1474803-B Amide derivatives and their use for the preparation of medicaments MITSUBISHI TANABE PHARMA CORP 2012-11-21 CN disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
CN-102050758-A Novel amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
CN-1474803-A Novel amide derivative and medical use thereof ������ҩ��ʽ���� 2004-02-11 CN disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 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 (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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAOA 412/4885MAOB 369/4885FABP4 1056/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S MAOA 584/4885MAOB 544/4885FABP4 1311/4885

“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.