SCHEMBL9949147

SCHEMBL9949147

O=C(O)NC1C2CC3CC1CC(CNCc1ccccc1)(C3)C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.56
EPHX2 P34913 4/20 0.52
HDAC6 Q9UBN7 3/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 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
SCHEMBL10131890 0.83 P2RX7 (0.50) P2RX7EPHX2HDAC6MEN1KMT2A
SCHEMBL10067533 0.81 P2RX7 (0.67) P2RX7EPHX2HDAC6MEN1KMT2A
SCHEMBL9949022 0.78 P2RX7 (0.48) P2RX7EPHX2MEN1KMT2A
SCHEMBL9949019 0.75 HDAC6 (0.48) P2RX7EPHX2HDAC6MEN1KMT2A
SCHEMBL1160892 0.74 P2RX7 (0.55) P2RX7EPHX2HDAC6MEN1KMT2A
SCHEMBL9948611 0.73 HSD11B1 (0.49) EPHX2HSD11B1
SCHEMBL1846513 0.72 GRIN2D (0.48) EPHX2HSD11B1
SCHEMBL1846514 0.72 GRIN2D (0.48) EPHX2HSD11B1
SCHEMBL9948664 0.72 GRIN2D (0.48) EPHX2HSD11B1
SCHEMBL1846516 0.72 GRIN2D (0.48) EPHX2HSD11B1

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 P2RX7 756/4885EPHX2 2241/4885HDAC6 940/4885

“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.