SCHEMBL2071128

SCHEMBL2071128

O=C(N1CCCc2ccccc21)N1C2C=C(c3cccc4[nH]ccc34)CC1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
ALDH1A1 P00352 6/20 0.42
PKM P14618 1/20 0.42
HTR1A P08908 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.37
NOTUM Q6P988 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2071131 1.00 HSD11B1 (0.44) HSD11B1ALDH1A1PKMHTR1ALMNA
SCHEMBL2070280 0.86 HSD11B1 (0.45) HSD11B1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL2070282 0.86 HSD11B1 (0.45) HSD11B1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3164786 0.86 HSD11B1 (0.43) HSD11B1ALDH1A1PKMLMNAMAPT
SCHEMBL3164790 0.84 HSD11B1 (0.43) HSD11B1ALDH1A1PKMLMNAMAPT
SCHEMBL2073837 0.82 HSD11B1 (0.44) HSD11B1ALDH1A1PKMHTR1ALMNA
SCHEMBL2073835 0.82 HSD11B1 (0.44) HSD11B1ALDH1A1PKMHTR1ALMNA
SCHEMBL2072978 0.82 PDE4B (0.48) HSD11B1POLBSMN1; SMN2TSHRNOTUM
SCHEMBL2071055 0.82 PDE4B (0.48) HSD11B1POLBSMN1; SMN2TSHRNOTUM
SCHEMBL2072975 0.82 PDE4B (0.48) HSD11B1POLBSMN1; SMN2TSHRNOTUM

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 5 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
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 1/4885ALDH1A1 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.