SCHEMBL1859751

SCHEMBL1859751

O=C(N1CCCc2ccccc21)N1CCCC1c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 3/20 0.50
HSD17B10 Q99714 1/20 0.49
NOTUM Q6P988 1/20 0.49
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 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
SCHEMBL1854997 0.82 HSD11B1 (0.79) HSD11B1SMN1; SMN2POLBHSD17B10NOTUM
SCHEMBL1856847 0.81 HSD11B1 (0.71) HSD11B1SMN1; SMN2POLBHSD17B10NOTUM
SCHEMBL1856848 0.81 HSD11B1 (0.71) HSD11B1SMN1; SMN2POLBHSD17B10NOTUM
Hydrochloric Acid SCHEMBL1857334 0.81 HSD11B1 (0.78) HSD11B1SMN1; SMN2POLBHSD17B10NOTUM
SCHEMBL2072432 0.79 HSD11B1 (0.70) HSD11B1SMN1; SMN2POLBHSD17B10NOTUM
SCHEMBL2072431 0.79 HSD11B1 (0.70) HSD11B1SMN1; SMN2POLBHSD17B10NOTUM
SCHEMBL2072436 0.79 HSD11B1 (0.70) HSD11B1SMN1; SMN2POLBHSD17B10NOTUM
SCHEMBL4019697 0.76 SMN1; SMN2 (0.79) SMN1; SMN2POLBNOTUMTSHRALDH1A1
SCHEMBL3136427 0.74 POLB (0.73) SMN1; SMN2POLBHSD17B10TSHRALDH1A1
SCHEMBL16565652 0.73 SCD (0.60) HSD11B1HSD17B10

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-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
EP-2044057-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008000950-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE 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 (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 1/4885SMN1; SMN2 3540/4885POLB 58/4885

“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.