SCHEMBL4662990

SCHEMBL4662990

O=C(CCc1c[nH]c2ccccc12)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.53
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAAA Q02083 1/20 0.44
TACR1 P25103 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTR2A P28223 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42

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
SCHEMBL4664787 0.91 TACR2 (0.50) TACR2HTR1ADRD2KDM4EALDH1A1
SCHEMBL4664712 0.80 CDK4 (0.47) ALDH1A1MAPTSMN1; SMN2HPGDTACR1
SCHEMBL4664875 0.80 POLB (0.52) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4666777 0.77 MAPK1 (0.46) KDM4EALDH1A1MAPTHPGDHRH3
SCHEMBL4664682 0.77 MAPT (0.51) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL4666623 0.76 FKBP1A (0.49) DRD2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4663356 0.76 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL4662956 0.76 MTNR1A (0.47) HTR1AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4664728 0.76 TSHR (0.43) KDM4EALDH1A1HSD17B10NAAAHRH3
SCHEMBL4663078 0.75 PTPN1 (0.41) KDM4EALDH1A1MAPTHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 TACR2 784/4885HTR1A 1586/4885DRD2 3357/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TACR2 784/4885HTR1A 1586/4885DRD2 3357/4885

“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.