SCHEMBL4664787

SCHEMBL4664787

O=C(Cc1c[nH]c2ccccc12)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.50
HRH3 Q9Y5N1 3/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTR1A P08908 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 2/20 0.42
TACR1 P25103 2/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4662990 0.91 TACR2 (0.53) TACR2HRH3MAPTALDH1A1HTR1A
SCHEMBL4663356 0.81 ALDH1A1 (0.46) MAPTALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL4664778 0.81 MC5R (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4664717 0.79 SLC6A2 (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4664737 0.77 CYP1A2 (0.42) ALDH1A1KDM4EKMT2ACYP2D6MMP2
SCHEMBL4663364 0.76 MAPT (0.45) MAPTALDH1A1HTR1AKDM4EMEN1
SCHEMBL4664812 0.76 SLC6A2 (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4664758 0.76 ALDH1A1 (0.42) MAPTALDH1A1KDM4EKMT2ACYP2D6
SCHEMBL4664875 0.75 POLB (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4665106 0.75 MTNR1A (0.44) MAPTALDH1A1HTR1AKDM4EMEN1

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 8 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
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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 784/4885HRH3 976/4885MAPT 74/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 TACR2 784/4885HRH3 976/4885MAPT 74/4885

“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.