SCHEMBL9948611

SCHEMBL9948611

O=C(O)NC1C2CC3CC1CC(CO)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.49
HSD11B2 P80365 3/20 0.49
ESR1 P03372 1/20 0.43
CYP2C9 P11712 1/20 0.43
ESR2 Q92731 1/20 0.43
EPHX2 P34913 4/20 0.42
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.37

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 0.85 GRIN2D (0.48) HSD11B1HSD11B2EPHX2ALDH1A1TSHR
SCHEMBL9948664 0.85 GRIN2D (0.48) HSD11B1HSD11B2EPHX2ALDH1A1TSHR
SCHEMBL1846516 0.85 GRIN2D (0.48) HSD11B1HSD11B2EPHX2ALDH1A1TSHR
SCHEMBL1846514 0.85 GRIN2D (0.48) HSD11B1HSD11B2EPHX2ALDH1A1TSHR
SCHEMBL9949867 0.81 HSD11B1 (0.38) HSD11B1HSD11B2EPHX2ALDH1A1TSHR
SCHEMBL4556735 0.79 P2RX7 (0.55) HSD11B1HSD11B2ESR1CYP2C9ESR2
SCHEMBL1844173 0.77 HSD11B1 (0.58) HSD11B1HSD11B2
SCHEMBL9948713 0.77 HSD11B1 (0.42) HSD11B1HSD11B2EPHX2ALDH1A1TSHR
SCHEMBL1844175 0.77 HSD11B1 (0.58) HSD11B1HSD11B2
SCHEMBL1844176 0.77 HSD11B1 (0.58) HSD11B1HSD11B2

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 HSD11B1 1172/4885HSD11B2 991/4885ESR1 579/4885

“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.