SCHEMBL9949329

SCHEMBL9949329

CC(C)(C)N1CCN(c2ccc(N3CCN(C(=O)Cl)c4ccccc43)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.63
HSD11B2 P80365 1/20 0.61
HDAC1 Q13547 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL3663237 0.90 HSD11B1 (0.64) HSD11B1HSD11B2HDAC1NPC1RAB9A
SCHEMBL1161043 0.81 HSD11B1 (0.51) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL1161045 0.81 HSD11B1 (0.51) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL9982588 0.81 HSD11B1 (0.60) HSD11B1HSD11B2HDAC1NPC1RAB9A
SCHEMBL3663703 0.80 HSD11B1 (0.59) HSD11B1HSD11B2HDAC1NPC1RAB9A
SCHEMBL28787535 0.79 HSD11B1 (0.63) HSD11B1HSD11B2HDAC1NPC1RAB9A
SCHEMBL974109 0.78 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL3662764 0.78 HSD11B1 (0.62) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL9947970 0.77 HSD11B1 (0.87) HSD11B1HSD11B2
SCHEMBL3665287 0.77 HSD11B1 (0.49) HSD11B1HSD11B2NPC1RAB9AKMT2A

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 991/4885HDAC1 1584/4885

“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.