SCHEMBL587055

SCHEMBL587055

O=C(O)C1CCN(C(=O)O)C(CCc2ccc(F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
NOTUM Q6P988 1/20 0.44
FFAR4 Q5NUL3 2/20 0.42
TAAR1 Q96RJ0 2/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL582130 0.87 FFAR4 (0.43) HTR2AHTR2CHTR7HTR6NOTUM
SCHEMBL580893 0.87 NOTUM (0.46) HTR2AHTR2CHTR7HTR6NOTUM
SCHEMBL15668140 0.81 SMN1; SMN2 (0.46) HTR2AHTR2CHTR7HTR6FFAR4
SCHEMBL586937 0.78 FFAR4 (0.37) HTR2AHTR2CHTR7HTR6FFAR4
SCHEMBL586938 0.78 FFAR4 (0.37) HTR2AHTR2CHTR7HTR6FFAR4
SCHEMBL587768 0.76 NOTUM (0.37) NOTUMPOLB
SCHEMBL582219 0.76 ALDH1A1 (0.43) NOTUMKDM4EGAA
SCHEMBL581222 0.75 DPP4 (0.47) NOTUM
SCHEMBL581397 0.75 ALDH1A1 (0.44) HTR2AHTR2CNOTUMKDM4EHTT
SCHEMBL581780 0.75 SIGMAR1 (0.41) KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 HTR2A 1114/4885HTR2C 305/4885HTR7 737/4885

“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.