SCHEMBL1049084

SCHEMBL1049084

COCCCc1c[nH]c2ccc(C(C)C(CC(CO)NC(=O)O)C(C)C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HCRTR1 O43613 1/20 0.38
HTR1D P28221 2/20 0.38
MTNR1A P48039 7/20 0.37
MTNR1B P49286 6/20 0.37
TRPV1 Q8NER1 3/20 0.37
PTGS2 P35354 2/20 0.37
FAAH O00519 1/20 0.37
HTR1B P28222 1/20 0.36
SPR P35270 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MPO P05164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1083534 0.87 CASP1 (0.40) KMT2AMEN1HCRTR1HTR1DMTNR1A
SCHEMBL1047567 0.84 HTR1D (0.39) KMT2AMEN1HCRTR1HTR1DMTNR1A
SCHEMBL5050472 0.83 HTR1D (0.35) KMT2AMEN1HCRTR1HTR1DMTNR1A
SCHEMBL1051032 0.81 HTR1D (0.36) KMT2AHTR1DMTNR1AMTNR1BTRPV1
SCHEMBL1049891 0.81 MTNR1A (0.35) KMT2AMEN1MTNR1AMTNR1BTRPV1
Hydrochloric Acid SCHEMBL5164080 0.79 HTR1D (0.40) KMT2AMEN1HTR1DMTNR1AMTNR1B
SCHEMBL4539260 0.78 HTR1D (0.38) HTR1DMTNR1AMTNR1BTRPV1PTGS2
SCHEMBL3769416 0.78 HTR1D (0.38) HTR1DMTNR1AMTNR1BTRPV1PTGS2
SCHEMBL1049206 0.77 HTR1D (0.36) KMT2AHTR1DMTNR1AMTNR1BTRPV1
SCHEMBL1049543 0.76 HTR1D (0.39) HTR1DMTNR1AMTNR1BTRPV1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KMT2A 3647/4885MEN1 1572/4885HCRTR1 216/4885

“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.