SCHEMBL3610487

SCHEMBL3610487

CC(C)N(C(=O)Cc1csc(N)n1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.58
GABRB2 P47870 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
ADRB3 P13945 2/20 0.38
NOS1 P29475 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3616606 0.86 GABRA5 (0.57) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL13496369 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL2814123 0.79 GABRA5 (0.60) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL3613130 0.78 GABRA5 (0.58) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL3613961 0.77 GABRA5 (0.57) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL11926737 0.76 HSD17B10 (0.70) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
Methyl Alcohol SCHEMBL10946415 0.75 HSD17B10 (0.93) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL909845 0.74 HSD17B10 (1.00) GABRA5GABRB2HSD17B10SMN1; SMN2GAA
SCHEMBL1797901 0.74 GABRA5 (0.72) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL5244530 0.74 HSD17B10 (0.57) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US disclosed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US disclosed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO 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 (2 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-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 GABRA5 2105/4885GABRB2 1661/4885HSD17B10 21/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 GABRA5 2377/4885GABRB2 1435/4885HSD17B10 23/4885

“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.