SCHEMBL2071565

SCHEMBL2071565

CCOc1ncccc1C1=CC2CCC(C1)N2C(=O)N1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.46
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.41
GPBAR1 Q8TDU6 3/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 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
SCHEMBL2071568 1.00 HSD11B1 (0.46) HSD11B1ALDH1A1PKMKMT2AMEN1
SCHEMBL2070918 0.92 HSD11B1 (0.45) HSD11B1ALDH1A1KMT2AGPBAR1GAA
SCHEMBL2070921 0.92 HSD11B1 (0.45) HSD11B1ALDH1A1KMT2AGPBAR1GAA
SCHEMBL2070481 0.85 HSD11B1 (0.47) HSD11B1KMT2AMEN1GAAMAPT
SCHEMBL2070483 0.85 HSD11B1 (0.47) HSD11B1KMT2AMEN1GAAMAPT
SCHEMBL2071427 0.84 HSD11B1 (0.45) HSD11B1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2071425 0.84 HSD11B1 (0.45) HSD11B1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2070916 0.83 HSD11B1 (0.45) HSD11B1ALDH1A1KMT2AMEN1GAA
SCHEMBL2070915 0.83 HSD11B1 (0.45) HSD11B1ALDH1A1KMT2AMEN1GAA
SCHEMBL2071646 0.82 HSD11B1 (0.44) HSD11B1ALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897773-B2 Urea derivatives of tropane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2011-03-01 US disclosed
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-23 US disclosed
EP-2046791-B1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2010-03-24 EP disclosed
US-20090170894-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2009-07-02 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-20090170894-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885ALDH1A1 68/4885PKM 2410/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885ALDH1A1 68/4885PKM 2410/4885

“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.