SCHEMBL2071533

SCHEMBL2071533

O=C(N1CCCc2ccccc21)N1C2C=C(c3cccc4ccsc34)CC1CC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.42
TSHR P16473 4/20 0.41
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.38
NOTUM Q6P988 1/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMO Q99835 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
SCHEMBL2071535 1.00 HSD11B1 (0.42) HSD11B1TSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL2070282 0.86 HSD11B1 (0.45) HSD11B1TSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL2070280 0.86 HSD11B1 (0.45) HSD11B1TSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL2073577 0.85 HSD11B1 (0.44) HSD11B1TSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL2073579 0.85 HSD11B1 (0.44) HSD11B1TSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL2071055 0.82 PDE4B (0.48) HSD11B1TSHRPOLBSMN1; SMN2MAPK1
SCHEMBL2072978 0.82 PDE4B (0.48) HSD11B1TSHRPOLBSMN1; SMN2NOTUM
SCHEMBL2071056 0.82 PDE4B (0.48) HSD11B1TSHRPOLBSMN1; SMN2MAPK1
SCHEMBL2072975 0.82 PDE4B (0.48) HSD11B1TSHRPOLBSMN1; SMN2NOTUM
SCHEMBL2071513 0.82 TSHR (0.42) HSD11B1TSHRPOLBSMN1; SMN2ALDH1A1

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 1/4885TSHR 846/4885POLB 463/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885TSHR 846/4885POLB 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.