SCHEMBL3612280

SCHEMBL3612280

Nc1nc(CN2CCOCC2=O)cs1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
SIRT1 Q96EB6 1/20 0.43
LMNA P02545 1/20 0.41
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 1/20 0.36
CYP11B2 P19099 4/20 0.35
NOS1 P29475 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
JAK2 O60674 1/20 0.33
MAPT P10636 1/20 0.33
RORC P51449 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
F10 P00742 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL3612360 0.86 SMN1; SMN2 (0.51) SMN1; SMN2SIRT1LMNAGABRA5GABRB2
SCHEMBL307293 0.76 SMN1; SMN2 (1.00) SMN1; SMN2SIRT1LMNAGABRA5GABRB2
Hydrochloric Acid SCHEMBL3606873 0.75 SMN1; SMN2 (0.97) SMN1; SMN2SIRT1LMNAGABRA5GABRB2
SCHEMBL15974385 0.74 ALDH1A1 (0.40) GRM2CYP11B2JAK2RORCPRMT5
SCHEMBL79013 0.69 GRM2 (0.43) LMNAGRM2CYP11B2PIK3CAMTOR
SCHEMBL31234993 0.69 PRMT5 (0.36) GRM2CYP11B2PIK3CAMTORJAK2
Trifluoroacetic Acid SCHEMBL465779 0.69 SMN1; SMN2 (0.75) SMN1; SMN2SIRT1LMNAGABRA5GABRB2
SCHEMBL25284273 0.68 HTT (0.57) SMN1; SMN2LMNAHSD17B10MAPTPRMT5
SCHEMBL3624985 0.68 SMN1; SMN2 (0.72) SMN1; SMN2LMNAGABRA5GABRB2HSD17B10
SCHEMBL2111372 0.68 SMN1; SMN2 (0.58) SMN1; SMN2LMNAGABRA5GABRB2HSD17B10

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 3 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

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 SMN1; SMN2 3226/4885SIRT1 1127/4885LMNA 1833/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 SMN1; SMN2 3799/4885SIRT1 1168/4885LMNA 3439/4885

“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.