SCHEMBL1047567

SCHEMBL1047567

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.39
MTNR1A P48039 4/20 0.35
MTNR1B P49286 3/20 0.35
CYP2C19 P33261 2/20 0.35
HTR7 P34969 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
PTGS2 P35354 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HTR1B P28222 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTR1A P08908 2/20 0.34
SPR P35270 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5050472 0.90 HTR1D (0.35) HTR1DMTNR1AMTNR1BKMT2AMEN1
SCHEMBL1049891 0.87 MTNR1A (0.35) MTNR1AMTNR1BCYP2C19HPGDKMT2A
SCHEMBL1049084 0.84 KMT2A (0.38) HTR1DMTNR1AMTNR1BHPGDKMT2A
SCHEMBL1083534 0.84 CASP1 (0.40) HTR1DMTNR1AMTNR1BKMT2AMEN1
SCHEMBL1050938 0.82 HTR1D (0.37) HTR1DMTNR1AMTNR1BCYP2C19HTR7
SCHEMBL3769416 0.81 HTR1D (0.38) HTR1DMTNR1AMTNR1BCYP2C19HTR7
SCHEMBL4539260 0.81 HTR1D (0.38) HTR1DMTNR1AMTNR1BCYP2C19HTR7
Hydrochloric Acid SCHEMBL5164080 0.79 HTR1D (0.40) HTR1DMTNR1AMTNR1BCYP2C19HTR7
SCHEMBL1049543 0.79 HTR1D (0.39) HTR1DMTNR1AMTNR1BCYP2C19HTR7
Hydrochloric Acid SCHEMBL1049681 0.78 HTR1D (0.39) HTR1DMTNR1AMTNR1BCYP2C19HTR7

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 HTR1D 698/4885MTNR1A 1026/4885MTNR1B 691/4885

“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.