SCHEMBL8512119

SCHEMBL8512119

O=C(O)N1CCN(c2ccc(N3CCC(N4CC[C@H](O)C4)CC3)cn2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.69
HSD11B2 P80365 1/20 0.40
CDK4 P11802 1/20 0.37
CDK6 Q00534 1/20 0.37
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.37
ADRA1A P35348 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL8510078 1.00 HSD11B1 (0.69) HSD11B1HSD11B2CDK4CDK6MAPT
SCHEMBL9982523 0.88 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL8512339 0.86 HSD11B1 (0.66) HSD11B1HSD11B2HDAC1ADRA1A
SCHEMBL3667504 0.86 HSD11B1 (0.86) HSD11B1HSD11B2
SCHEMBL8511579 0.85 HSD11B1 (0.72) HSD11B1HSD11B2HDAC1ADRA1A
SCHEMBL3663888 0.82 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL9982886 0.80 HSD11B1 (0.65) HSD11B1HSD11B2HDAC1
SCHEMBL9982162 0.80 HSD11B1 (0.65) HSD11B1HSD11B2MAPTHDAC1
SCHEMBL8512350 0.79 HSD11B1 (0.61) HSD11B1HSD11B2HDAC1KDM1A
SCHEMBL8512608 0.79 HSD11B1 (0.61) HSD11B1HSD11B2HDAC1KDM1A

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-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US claimed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US claimed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 HSD11B1 1963/4885HSD11B2 1686/4885CDK4 1414/4885

“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.