SCHEMBL2072701

SCHEMBL2072701

O=C(N1CCCc2ccccc21)N1C2C=C(c3cccnc3)CC1CC2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.53
POLB P06746 3/20 0.50
HSD17B10 Q99714 1/20 0.50
AVPR2 P30518 1/20 0.50
OXTR P30559 1/20 0.50
AVPR1A P37288 1/20 0.50
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2072699 1.00 HSD11B1 (0.53) HSD11B1POLBHSD17B10AVPR2OXTR
SCHEMBL2070020 0.90 HSD11B1 (0.52) HSD11B1POLBHSD17B10AVPR2OXTR
SCHEMBL2070018 0.90 HSD11B1 (0.52) HSD11B1POLBHSD17B10AVPR2OXTR
SCHEMBL2070964 0.85 POLB (0.46) HSD11B1POLBAVPR2OXTRAVPR1A
SCHEMBL2070962 0.85 POLB (0.46) HSD11B1POLBAVPR2OXTRAVPR1A
SCHEMBL2071649 0.84 AVPR2 (0.47) HSD11B1POLBAVPR2OXTRAVPR1A
SCHEMBL2073318 0.84 PDE4B (0.48) HSD11B1POLBSMN1; SMN2ALDH1A1
SCHEMBL2071679 0.84 POLB (0.52) HSD11B1POLBSMN1; SMN2ALDH1A1
SCHEMBL2073320 0.84 PDE4B (0.48) HSD11B1POLBSMN1; SMN2ALDH1A1
SCHEMBL2071682 0.84 POLB (0.52) HSD11B1POLBSMN1; SMN2ALDH1A1

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 1/4885POLB 463/4885HSD17B10 39/4885
US-20100324084-A1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HSD11B1, ADRA1D, HSD17B1 HSD11B1 1/4885POLB 463/4885HSD17B10 39/4885

“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.