SCHEMBL2069941

SCHEMBL2069941

CC(C)c1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
LIPE Q05469 1/20 0.43
NOTUM Q6P988 1/20 0.43
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
GRM7 Q14831 1/20 0.41
TSHR P16473 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2069944 1.00 HSD11B1 (0.45) HSD11B1LIPENOTUMTHRBSMN1; SMN2
SCHEMBL3942367 0.93 HSD11B1 (0.40) HSD11B1LIPENOTUMTHRBSMN1; SMN2
SCHEMBL3942371 0.93 HSD11B1 (0.40) HSD11B1LIPENOTUMTHRBSMN1; SMN2
SCHEMBL2073223 0.89 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2KMT2AMEN1
SCHEMBL2073320 0.89 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2KMT2AMEN1
SCHEMBL2073220 0.89 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2KMT2AMEN1
SCHEMBL2071651 0.89 AVPR2 (0.47) HSD11B1NOTUMSMN1; SMN2POLBTSHR
SCHEMBL2073318 0.89 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2KMT2AMEN1
SCHEMBL2071649 0.89 AVPR2 (0.47) HSD11B1NOTUMSMN1; SMN2POLBTSHR
SCHEMBL2071679 0.87 POLB (0.52) HSD11B1NOTUMSMN1; SMN2KMT2AMEN1

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 1/4885LIPE 543/4885NOTUM 1364/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885LIPE 543/4885NOTUM 1364/4885

“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.