SCHEMBL1844501

SCHEMBL1844501

ClCc1cccc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.50
CXCR4 P61073 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
POLB P06746 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29866072 1.00 PDE10A (0.50) PDE10ACXCR4GAAMAPTHTT
SCHEMBL29228864 0.84 PDE10A (0.55) PDE10A
SCHEMBL6475308 0.83 GAA (0.51) PDE10ACXCR4GAAHTTPIK3CD
SCHEMBL29227340 0.83 PDE10A (0.50) PDE10ACXCR4GAAMAPTHTT
SCHEMBL10272910 0.83 PDE10A (0.53) PDE10ACXCR4GAAHTTPOLB
SCHEMBL1303138 0.83 PDE10A (0.50) PDE10ACXCR4GAAMAPTHTT
SCHEMBL29907771 0.83 PDE10A (0.50) PDE10ACXCR4GAAMAPTHTT
SCHEMBL20548111 0.83 PDE10A (0.54) PDE10A
SCHEMBL6843345 0.82 GAA (0.59) PDE10ACXCR4GAAMAPTHTT
SCHEMBL10154077 0.80 PDE10A (0.50) PDE10ACXCR4GAAHTTPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835712-A Synthesis method of epinastine 重庆恩联生物科技有限公司 2022-08-02 CN disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
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 PDE10A 2576/4885CXCR4 495/4885GAA 3289/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S PDE10A 2513/4885CXCR4 653/4885GAA 1702/4885

“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.