SCHEMBL1856385

SCHEMBL1856385

O=C(N1CCC(c2ccccc2F)C1)N1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.61
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOTUM Q6P988 1/20 0.48
SMO Q99835 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL27812796 0.82 NAMPT (0.55) ATMNAMPTMEN1KMT2AL3MBTL1
SCHEMBL5421718 0.80 HSD11B1 (0.78) HSD11B1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1856848 0.80 HSD11B1 (0.71) HSD11B1SMN1; SMN2POLBNOTUMSMO
SCHEMBL1856847 0.80 HSD11B1 (0.71) HSD11B1SMN1; SMN2POLBNOTUMSMO
SCHEMBL1857680 0.79 HSD11B1 (0.67) HSD11B1SMN1; SMN2POLBSMO
SCHEMBL1857858 0.78 HSD11B1 (0.66) HSD11B1SMN1; SMN2POLBSMO
SCHEMBL1860172 0.78 HSD11B1 (0.62) HSD11B1SMN1; SMN2POLBSMOTSHR
SCHEMBL1854997 0.76 HSD11B1 (0.79) HSD11B1SMN1; SMN2POLBNOTUMSMO
SCHEMBL1860343 0.76 HSD11B1 (0.68) HSD11B1SMN1; SMN2POLBNOTUMSMO
SCHEMBL1856555 0.76 HSD11B1 (0.67) HSD11B1SMN1; SMN2POLBNOTUMSMO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 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 (1 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-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE HSD11B1, HSD3B1, ADH1C HSD11B1 1/4885ATM 4604/4885SMN1; SMN2 3540/4885

“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.