SCHEMBL2073029

SCHEMBL2073029

O=C(N1CCCc2ccccc21)N1C2C=C(c3cc(Cl)cnc3Cl)CC1CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
SPR P35270 1/20 0.39

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
SCHEMBL2073032 1.00 HSD11B1 (0.44) HSD11B1SMN1; SMN2TP53POLBKMT2A
SCHEMBL2070089 0.84 HSD11B1 (0.45) HSD11B1POLBKMT2AALDH1A1KDM4E
SCHEMBL2070085 0.84 HSD11B1 (0.45) HSD11B1POLBKMT2AALDH1A1KDM4E
SCHEMBL2071056 0.84 PDE4B (0.48) HSD11B1SMN1; SMN2TP53POLBKMT2A
SCHEMBL2071055 0.84 PDE4B (0.48) HSD11B1SMN1; SMN2TP53POLBKMT2A
SCHEMBL2073220 0.83 PDE4B (0.48) HSD11B1SMN1; SMN2TP53POLBKMT2A
SCHEMBL2073223 0.83 PDE4B (0.48) HSD11B1SMN1; SMN2TP53POLBKMT2A
SCHEMBL3158385 0.82 HSD11B1 (0.44) HSD11B1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL3158376 0.82 HSD11B1 (0.44) HSD11B1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL2070510 0.82 ALDH1A1 (0.46) HSD11B1SMN1; SMN2TP53POLBKMT2A

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 1/4885SMN1; SMN2 2670/4885TP53 2715/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885SMN1; SMN2 2670/4885TP53 2715/4885

“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.