Sugi Predict

Sugi Predict / Compounds / SCHEMBL496485

SCHEMBL496485

SCHEMBL496485

CC1C[C@H]2CN[C@H](CNC(=O)c3cnc4sccn34)[C@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.34
▸ HSD17B10 Q99714 8/20 0.34
▸ HPGD P15428 6/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ TSHR P16473 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ SSTR4 P31391 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ AHR P35869 1/20 0.31

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
SCHEMBL496430 0.82 HCRTR1 (0.49) KDM4EHSD17B10NPC1RAB9ATP53
SCHEMBL2450556 0.82 HCRTR1 (0.45) —
SCHEMBL496272 0.82 HCRTR1 (0.45) —
SCHEMBL1338047 0.75 HCRTR1 (0.47) —
SCHEMBL13538936 0.75 HCRTR1 (0.47) —
SCHEMBL496343 0.75 HCRTR1 (0.35) KDM4EHSD17B10HPGDALDH1A1RECQL
SCHEMBL1340292 0.73 EPHB3 (0.45) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13538938 0.70 HPGD (0.39) HSD17B10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20827748 0.68 HCRTR1 (0.60) —
SCHEMBL22897290 0.68 HCRTR1 (0.60) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 — — EP disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 — — EP disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 — — US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 — — US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 — — US disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 — — 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 (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-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR KDM4E 711/4885HSD17B10 2011/4885HPGD 1968/4885

“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.