SCHEMBL1857637

SCHEMBL1857637

O=C(N1CCC(c2ccn[nH]2)CC1)N1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 1.00
SMO Q99835 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.47
NOTUM Q6P988 1/20 0.46
TSHR P16473 1/20 0.46
CNR2 P34972 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 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
SCHEMBL2071242 0.84 HSD11B1 (1.00) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL30756735 0.82 HSD11B1 (1.00) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL26657989 0.82 HSD11B1 (1.00) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL1854997 0.81 HSD11B1 (0.79) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL5421718 0.81 HSD11B1 (0.78) HSD11B1SMOSMN1; SMN2POLBNOTUM
Hydrochloric Acid SCHEMBL1857334 0.81 HSD11B1 (0.78) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL28780902 0.79 HSD11B1 (1.00) HSD11B1SMO
SCHEMBL1856848 0.78 HSD11B1 (0.71) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL1856847 0.78 HSD11B1 (0.71) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL1863781 0.77 HSD11B1 (0.62) HSD11B1SMOSMN1; SMN2POLBNOTUM

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 5 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
CN-101479259-A Urea derivatives of piperidine or pyrrolidine, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-07-08 CN 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 1/4885SMO 4646/4885SMN1; 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.