SCHEMBL2073534

SCHEMBL2073534

COc1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
TSHR P16473 5/20 0.53
MAPT P10636 7/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 4/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2073535 1.00 ALDH1A1 (0.55) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2073320 0.89 PDE4B (0.48) ALDH1A1TSHRMAPTPDE4BPDE4D
SCHEMBL2073318 0.89 PDE4B (0.48) ALDH1A1TSHRMAPTPDE4BPDE4D
SCHEMBL2072609 0.87 ALDH1A1 (0.46) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2072608 0.87 ALDH1A1 (0.46) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL2071649 0.87 AVPR2 (0.47) TSHRSMN1; SMN2HSD11B1
SCHEMBL2073220 0.87 PDE4B (0.48) TP53TSHRMAPTPDE4BPDE4D
SCHEMBL2073223 0.87 PDE4B (0.48) TP53TSHRMAPTPDE4BPDE4D
SCHEMBL2071679 0.87 POLB (0.52) ALDH1A1TSHRMAPTPDE4BPDE4D
SCHEMBL2071682 0.87 POLB (0.52) ALDH1A1TSHRMAPTPDE4BPDE4D

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 ALDH1A1 68/4885TP53 2715/4885CYP1A2 34/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 ALDH1A1 68/4885TP53 2715/4885CYP1A2 34/4885

“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.