SCHEMBL2070481

SCHEMBL2070481

O=C(N1CCCc2ccccc21)N1C2C=C(c3cccnc3F)CC1CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.47
GAA P10253 1/20 0.40
POLB P06746 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 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
SCHEMBL2070483 1.00 HSD11B1 (0.47) HSD11B1GAAPOLBMEN1KMT2A
SCHEMBL2072978 0.88 PDE4B (0.48) HSD11B1POLBMEN1KMT2AL3MBTL1
SCHEMBL2072975 0.88 PDE4B (0.48) HSD11B1POLBMEN1KMT2AL3MBTL1
SCHEMBL2072087 0.87 HSD11B1 (0.45) HSD11B1POLBMEN1KMT2AL3MBTL1
SCHEMBL2072090 0.87 HSD11B1 (0.45) HSD11B1POLBMEN1KMT2AL3MBTL1
SCHEMBL2070921 0.87 HSD11B1 (0.45) HSD11B1GAAKMT2ATSHRKDM4E
SCHEMBL2070915 0.87 HSD11B1 (0.45) HSD11B1GAAPOLBMEN1KMT2A
SCHEMBL2070918 0.87 HSD11B1 (0.45) HSD11B1GAAKMT2ATSHRKDM4E
SCHEMBL2070916 0.87 HSD11B1 (0.45) HSD11B1GAAPOLBMEN1KMT2A
SCHEMBL2071568 0.85 HSD11B1 (0.46) HSD11B1GAAPOLBMEN1KMT2A

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 1/4885GAA 1766/4885POLB 463/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885GAA 1766/4885POLB 463/4885

“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.