SCHEMBL1854468

SCHEMBL1854468

O=C(N1CCCC(c2cccnc2)C1)N1CCCc2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.80
POLB P06746 2/20 0.56
HSD17B10 Q99714 1/20 0.56
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
AVPR2 P30518 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOTUM Q6P988 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL1856848 0.83 HSD11B1 (0.71) HSD11B1POLBHSD17B10SMN1; SMN2NOTUM
SCHEMBL1856847 0.83 HSD11B1 (0.71) HSD11B1POLBHSD17B10SMN1; SMN2NOTUM
SCHEMBL2072955 0.82 HSD11B1 (0.72) HSD11B1POLBHSD17B10AVPR2OXTR
SCHEMBL2071326 0.82 HSD11B1 (0.72) HSD11B1POLBHSD17B10AVPR2OXTR
SCHEMBL1856520 0.82 HSD11B1 (0.68) HSD11B1POLBHSD17B10PRMT5WDR77
Hydrochloric Acid SCHEMBL2071542 0.81 HSD11B1 (0.71) HSD11B1POLBHSD17B10AVPR2OXTR
SCHEMBL1854822 0.79 HSD11B1 (0.65) HSD11B1HSD17B10NOTUM
SCHEMBL1857858 0.79 HSD11B1 (0.66) HSD11B1POLBHSD17B10SMN1; SMN2
SCHEMBL1858987 0.79 HSD11B1 (0.65) HSD11B1POLBHSD17B10PRMT5WDR77
SCHEMBL3932825 0.79 HSD11B1 (0.66) HSD11B1POLBHSD17B10SMN1; SMN2NOTUM

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 1/4885POLB 58/4885HSD17B10 65/4885

“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.