SCHEMBL5763798

SCHEMBL5763798

O=C(O)c1ccc(F)c2c1C=CCO2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.35
ALB P02768 1/20 0.33
CYP1A2 P05177 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.31
CLCN2 P51788 1/20 0.31
NPC1 O15118 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5760894 0.87 ALB (0.33) GYS1ALBCYP1A2CES2CES1
SCHEMBL5567144 0.82 ABL1 (0.35) GYS1CES2CES1NPC1CA1
SCHEMBL5759463 0.81 TSHR (0.37) CYP1A2NPC1CA1CA9TSHR
SCHEMBL5762471 0.76 HTR1A (0.39) CES2CES1HTR1A
SCHEMBL7333144 0.74 KDM4E (0.37) CYP1A2CA1CA9CYP3A4
SCHEMBL6436506 0.73 GYS1 (0.33) GYS1
SCHEMBL1477045 0.73 RXFP1 (0.35) TSHR
SCHEMBL27175826 0.70 CYP1A2 (0.38) ALBCYP1A2CES2CES1HTR1A
SCHEMBL1338706 0.70 CYP2B6 (0.42) ALBCYP1A2CA1CA9TSHR
SCHEMBL7415931 0.69 KDM4E (0.42) CYP1A2NPC1CASP1SMN1; SMN2

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
CN-1860112-A 3-amino chroman and 2-amino tetralin derivatives WYETH CORP (US) 2006-11-08 CN disclosed
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
CN-1192026-C new method ASTRA AB (SE) 2005-03-09 CN 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
CN-1259941-A new method ASTRA AB (SE) 2000-07-12 CN 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 GYS1 1191/4885ALB 434/4885CYP1A2 1468/4885

“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.