SCHEMBL4310679

SCHEMBL4310679

COc1ccccc1[C@@H]1CCNC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
CYP19A1 P11511 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HTR6 P50406 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HSD11B1 P28845 2/20 0.40
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5125493 1.00 HTR2C (0.49) HTR2CCYP19A1MEN1KMT2AUSP2
SCHEMBL4306942 0.80 HTR2C (0.45) HTR2CUSP2HTR1ASLC6A2SLC6A4
SCHEMBL5129808 0.80 HTR2C (0.45) HTR2CUSP2HTR1ASLC6A2SLC6A4
SCHEMBL26410230 0.77 CYP19A1 (0.48) HTR2CCYP19A1MEN1KMT2AUSP2
SCHEMBL10569317 0.77 CYP19A1 (0.48) HTR2CCYP19A1MEN1KMT2AUSP2
SCHEMBL9903703 0.76 HTR2C (0.49) HTR2CHTR6HTR2AHTR2BPKM
SCHEMBL6584131 0.75 PDE4A (0.49) ALDH1A1KDM4E
SCHEMBL6584682 0.73 PDE4A (0.43) KMT2AHTR6ALDH1A1MAPTKDM4E
SCHEMBL14521456 0.73 MAOB (0.42) CYP19A1USP2HSD11B1ALDH1A1HPGD
SCHEMBL1705219 0.73 MAOB (0.42) CYP19A1USP2HSD11B1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 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-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP HTR2C 4773/4885CYP19A1 714/4885MEN1 2477/4885

“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.