SCHEMBL2071202

SCHEMBL2071202

CCc1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
NOTUM Q6P988 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
AVPR2 P30518 3/20 0.42
OXTR P30559 3/20 0.42
AVPR1A P37288 3/20 0.42
PDE4B Q07343 2/20 0.42
PDE4D Q08499 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2071200 1.00 HSD11B1 (0.45) HSD11B1NOTUMSMN1; SMN2ALDH1A1MAPT
SCHEMBL2071045 0.91 HSD11B1 (0.46) HSD11B1NOTUMSMN1; SMN2ALDH1A1TSHR
SCHEMBL2071047 0.91 HSD11B1 (0.46) HSD11B1NOTUMSMN1; SMN2ALDH1A1TSHR
SCHEMBL2073320 0.89 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2ALDH1A1MAPT
SCHEMBL2073318 0.89 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2ALDH1A1MAPT
SCHEMBL2071649 0.87 AVPR2 (0.47) HSD11B1NOTUMSMN1; SMN2TSHRAVPR2
SCHEMBL2071679 0.87 POLB (0.52) HSD11B1NOTUMSMN1; SMN2ALDH1A1MAPT
SCHEMBL2073220 0.87 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2MAPTTSHR
SCHEMBL2073223 0.87 PDE4B (0.48) HSD11B1NOTUMSMN1; SMN2MAPTTSHR
SCHEMBL2071682 0.87 POLB (0.52) HSD11B1NOTUMSMN1; SMN2ALDH1A1MAPT

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 1/4885NOTUM 1364/4885SMN1; SMN2 2670/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885NOTUM 1364/4885SMN1; SMN2 2670/4885

“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.