SCHEMBL2071682

SCHEMBL2071682

O=C(N1CCCc2ccccc21)N1C2C=C(c3ccc(F)cc3)CC1CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.43
NOTUM Q6P988 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 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
SCHEMBL2071679 1.00 POLB (0.52) POLBPDE4BPDE4DHSD11B1ALDH1A1
SCHEMBL2070931 0.90 PDE4B (0.50) POLBPDE4BPDE4DHSD11B1ALDH1A1
SCHEMBL2070929 0.90 PDE4B (0.50) POLBPDE4BPDE4DHSD11B1ALDH1A1
SCHEMBL2073318 0.90 PDE4B (0.48) POLBPDE4BPDE4DHSD11B1ALDH1A1
SCHEMBL2071649 0.90 AVPR2 (0.47) POLBHSD11B1SMN1; SMN2NOTUMTSHR
SCHEMBL2073223 0.90 PDE4B (0.48) POLBPDE4BPDE4DHSD11B1SMN1; SMN2
SCHEMBL2073320 0.90 PDE4B (0.48) POLBPDE4BPDE4DHSD11B1ALDH1A1
SCHEMBL2071651 0.90 AVPR2 (0.47) POLBHSD11B1SMN1; SMN2NOTUMTSHR
SCHEMBL2073220 0.90 PDE4B (0.48) POLBPDE4BPDE4DHSD11B1SMN1; SMN2
SCHEMBL2070235 0.89 HSD11B1 (0.45) POLBHSD11B1SMN1; SMN2NOTUMTSHR

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 POLB 463/4885PDE4B 287/4885PDE4D 292/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 POLB 463/4885PDE4B 287/4885PDE4D 292/4885

“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.