SCHEMBL5762979

SCHEMBL5762979

C#CCOc1cc(C(=O)OC)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
MDH1 P40925 1/20 0.46
MDH2 P40926 1/20 0.46
CYP2B6 P20813 1/20 0.45
NOTUM Q6P988 1/20 0.44
PDE4B Q07343 1/20 0.44
MAPT P10636 4/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL668221 0.84 MAPT (0.59) MDH1MDH2CYP2B6PDE4BMAPT
SCHEMBL14648692 0.84 KDM4E (0.50) MDH1MDH2CYP2B6PDE4BMAPT
SCHEMBL666907 0.84 CYP2B6 (0.60) MDH1MDH2CYP2B6PDE4BMAPT
SCHEMBL6385807 0.84 TTR (0.47) TTRCYP2B6PDE4BCA12CA1
SCHEMBL21955097 0.83 MDH1 (0.46) MDH1MDH2CYP2B6NOTUMPDE4B
SCHEMBL5763287 0.83 CYP2B6 (0.53) MDH1MDH2CYP2B6PDE4BMAPT
SCHEMBL27001789 0.83 MAPT (0.49) MDH1MDH2CYP2B6PDE4BMAPT
SCHEMBL31747453 0.80 CYP2B6 (0.53) MDH1MDH2CYP2B6PDE4BMAPT
SCHEMBL13535957 0.79 TTR (0.59) TTRNOTUMMAPTCA12CA1
SCHEMBL17346492 0.79 TSHR (0.43) MDH1MDH2CYP2B6PDE4BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO disclosed
EP-0975618-B1 a new process for the preparation of 3-N,N-dicycobutylamino-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamide ASTRAZENECA AB (SE) 2001-10-24 EP disclosed
US-6197978-B1 ESTERIFICATION, PROPARYLATION, HEATING, HYDROLYSIS, ETHERIFICATION, REDUCTION, ALKYLATION, CYCLIZATION, AMINATION ASTRA AKTIEBOLAG (SE) 2001-03-06 US disclosed
EP-0975618-A1 A NEW PROCESS Astra Aktiebolag (SE) 2000-02-02 EP disclosed
WO-1998046586-A1 A NEW PROCESS ASTRA AKTIEBOLAG (SE) 1998-10-22 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 (1 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 TTR 160/4885MDH1 1644/4885MDH2 1892/4885

“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.