SCHEMBL2072436

SCHEMBL2072436

O=C(N1CCCc2ccccc21)N1[C@@H]2CC[C@H]1CC(c1ccncc1)C2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.70
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.48
CNR2 P34972 1/20 0.48
HSD17B10 Q99714 1/20 0.47
NOTUM Q6P988 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2072431 1.00 HSD11B1 (0.70) HSD11B1SMN1; SMN2POLBCNR2HSD17B10
SCHEMBL2072432 1.00 HSD11B1 (0.70) HSD11B1SMN1; SMN2POLBCNR2HSD17B10
SCHEMBL2071360 0.91 HSD11B1 (0.69) HSD11B1SMN1; SMN2POLBCNR2NOTUM
SCHEMBL2071326 0.89 HSD11B1 (0.72) HSD11B1SMN1; SMN2POLBCNR2HSD17B10
SCHEMBL2072955 0.89 HSD11B1 (0.72) HSD11B1SMN1; SMN2POLBCNR2HSD17B10
Hydrochloric Acid SCHEMBL2071542 0.88 HSD11B1 (0.71) HSD11B1SMN1; SMN2POLBCNR2HSD17B10
SCHEMBL2071382 0.84 HSD11B1 (0.68) HSD11B1SMN1; SMN2POLBCNR2NOTUM
SCHEMBL2072042 0.84 HSD11B1 (0.68) HSD11B1SMN1; SMN2POLBCNR2NOTUM
SCHEMBL2071383 0.84 HSD11B1 (0.68) HSD11B1SMN1; SMN2POLBCNR2NOTUM
Hydrochloric Acid SCHEMBL2070014 0.84 HSD11B1 (0.67) HSD11B1SMN1; SMN2POLBCNR2NOTUM

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 1/4885SMN1; SMN2 2670/4885POLB 463/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885SMN1; SMN2 2670/4885POLB 463/4885

“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.