SCHEMBL2070918

SCHEMBL2070918

COc1ncccc1C1=CC2CCC(C1)N2C(=O)N1CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.45
GPBAR1 Q8TDU6 2/20 0.42
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 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
SCHEMBL2070921 1.00 HSD11B1 (0.45) HSD11B1GPBAR1ALDH1A1CYP3A4TP53
SCHEMBL2071568 0.92 HSD11B1 (0.46) HSD11B1GPBAR1ALDH1A1TSHRGAA
SCHEMBL2071565 0.92 HSD11B1 (0.46) HSD11B1GPBAR1ALDH1A1TSHRGAA
SCHEMBL2071195 0.87 HSD11B1 (0.43) HSD11B1ALDH1A1CYP3A4TP53CYP1A2
SCHEMBL2071197 0.87 HSD11B1 (0.43) HSD11B1ALDH1A1CYP3A4TP53CYP1A2
SCHEMBL2070481 0.87 HSD11B1 (0.47) HSD11B1TSHRGAAKDM4EKMT2A
SCHEMBL2070483 0.87 HSD11B1 (0.47) HSD11B1TSHRGAAKDM4EKMT2A
SCHEMBL2070080 0.87 ALDH1A1 (0.48) HSD11B1ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL2070078 0.87 ALDH1A1 (0.48) HSD11B1ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL2070916 0.84 HSD11B1 (0.45) HSD11B1ALDH1A1TSHRGAAKDM4E

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 6 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
EP-2046791-A2 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2009-04-15 EP disclosed
WO-2008000951-A2 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-03 WO 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 1/4885GPBAR1 417/4885ALDH1A1 68/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885GPBAR1 417/4885ALDH1A1 68/4885

“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.