SCHEMBL2070233

SCHEMBL2070233

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 3/20 0.42
NOTUM Q6P988 1/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
KCNJ2 P63252 1/20 0.39
RECQL P46063 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL2070235 1.00 HSD11B1 (0.45) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2071682 0.89 POLB (0.52) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2071679 0.89 POLB (0.52) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2071649 0.87 AVPR2 (0.47) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2071651 0.87 AVPR2 (0.47) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2070018 0.87 HSD11B1 (0.52) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2073318 0.87 PDE4B (0.48) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2073320 0.87 PDE4B (0.48) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2073220 0.87 PDE4B (0.48) HSD11B1SMN1; SMN2POLBNOTUMTSHR
SCHEMBL2073223 0.87 PDE4B (0.48) HSD11B1SMN1; SMN2POLBNOTUMTSHR

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 2670/4885POLB 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.