SCHEMBL9948664

SCHEMBL9948664

NCC12CC3CC(C1)C(NC(=O)O)C(C3)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HSD11B1 P28845 12/20 0.39
HSD11B2 P80365 3/20 0.39

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
SCHEMBL1846513 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1846514 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1846516 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9948611 0.85 HSD11B1 (0.49) EPHX2ALDH1A1TSHRHSD11B1HSD11B2
SCHEMBL9949867 0.80 HSD11B1 (0.38) EPHX2ALDH1A1TSHRHSD11B1HSD11B2
SCHEMBL1845149 0.78 HSD11B1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1845150 0.78 HSD11B1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1845148 0.78 HSD11B1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31647199 0.78 HSD11B1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9948724 0.77 THRB (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 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-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 GRIN2D 706/4885GRIN3B 259/4885GRIN1 367/4885

“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.