SCHEMBL2070949

SCHEMBL2070949

O=C(N1CCCc2ccccc21)N1C2C=C(c3cncc4ccccc34)CC1CC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.44
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMO Q99835 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
SCHEMBL2070946 1.00 HSD11B1 (0.44) HSD11B1CYP11B1CYP11B2POLBHSD17B10
SCHEMBL2071567 0.91 HSD11B1 (0.45) HSD11B1CYP11B1CYP11B2POLBHSD17B10
SCHEMBL2071564 0.91 HSD11B1 (0.45) HSD11B1CYP11B1CYP11B2POLBHSD17B10
SCHEMBL2070280 0.89 HSD11B1 (0.45) HSD11B1POLBSMN1; SMN2LMNARECQL
SCHEMBL2070282 0.89 HSD11B1 (0.45) HSD11B1POLBSMN1; SMN2LMNARECQL
SCHEMBL2070020 0.82 HSD11B1 (0.52) HSD11B1POLBHSD17B10SMN1; SMN2LMNA
SCHEMBL2070018 0.82 HSD11B1 (0.52) HSD11B1POLBHSD17B10SMN1; SMN2LMNA
SCHEMBL2072978 0.81 PDE4B (0.48) HSD11B1POLBSMN1; SMN2
SCHEMBL2071055 0.81 PDE4B (0.48) HSD11B1POLBSMN1; SMN2
SCHEMBL2072975 0.81 PDE4B (0.48) HSD11B1POLBSMN1; SMN2

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 1/4885CYP11B1 13/4885CYP11B2 22/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885CYP11B1 13/4885CYP11B2 22/4885

“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.