SCHEMBL661839

SCHEMBL661839

CC(=O)OC(COc1ccc(CC(N)=O)cc1)C(N)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
CNR1 P21554 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL6201961 0.77 LMNA (0.65) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL120077 0.75 ADRB2 (0.70) LMNATDP1ADRB2ADRB1CNR1
Oxalic Acid SCHEMBL16056973 0.74 LMNA (0.60) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL669303 0.73 LMNA (0.48) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL700166 0.72 PARP10 (0.61) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL23876314 0.70 ADRB2 (0.67) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL14283101 0.70 LMNA (0.67) LMNATDP1ADRB2ADRB1CNR1
Isopropylamine SCHEMBL27960924 0.70 LMNA (0.52) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL10949087 0.69 LMNA (0.66) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL661838 0.69 MAPK1 (0.39) LMNACYP3A4POLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045505-A1 FIXED DOSE DRUG COMBINATION FORMULATIONS DR. REDDY'S LABORATORIES, INC. (US) 2012-02-23 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-20120045505-A1 FIXED DOSE DRUG COMBINATION FORMULATIONS SLC5A6, TNNT2, SIRT6 LMNA 588/4885TDP1 2568/4885ADRB2 259/4885

“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.