SCHEMBL17102011

SCHEMBL17102011

COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(c2nc(CC(F)(F)F)ns2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
PKLR P30613 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD11B1 P28845 3/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39

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
SCHEMBL18918446 0.86 PKM (0.46) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17102017 0.85 TP53 (0.43) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17102060 0.85 PKM (0.44) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17101962 0.84 ALDH1A1 (0.53) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17101967 0.84 KMT2A (0.43) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL17101987 0.84 ALDH1A1 (0.43) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17101945 0.84 TP53 (0.42) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL18926609 0.84 ALDH1A1 (0.43) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17101961 0.82 ALDH1A1 (0.49) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17100784 0.81 SMN1; SMN2 (0.44) PKMNPC1PKLRRAB9AALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119782-B1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2018-01-31 EP claimed
US-9750745-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-09-05 US claimed
US-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-06-08 US claimed
US-9617264-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-04-11 US claimed
EP-3119782-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS reMynd NV (BE) 2017-01-25 EP claimed
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-01-19 US claimed
WO-2015140132-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2015-09-24 WO claimed
EP-3119782-B1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2018-01-31 EP disclosed
US-9750745-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-09-05 US disclosed
US-9750745-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-09-05 US disclosed
US-9750745-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-09-05 US disclosed
US-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-06-08 US disclosed
US-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-06-08 US disclosed
US-9617264-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-04-11 US disclosed
US-9617264-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-04-11 US disclosed
EP-3119782-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-01-19 US disclosed
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-01-19 US disclosed
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-01-19 US disclosed
WO-2015140132-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2015-09-24 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-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 PKM 258/4885NPC1 94/4885PKLR 566/4885
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 PKM 258/4885NPC1 94/4885PKLR 566/4885

“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.