SCHEMBL17102017

SCHEMBL17102017

COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(c2nc(Cc4ccc(F)cc4)ns2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.42
GBA1 P04062 1/20 0.42
CHRNB2 P17787 2/20 0.42

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
SCHEMBL17101945 0.93 TP53 (0.42) TP53ALDH1A1HSD17B10MAPTHTT
SCHEMBL17101962 0.92 ALDH1A1 (0.53) ALDH1A1HSD17B10HTTSMN1; SMN2LMNA
SCHEMBL19808957 0.91 KDM4E (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL17101987 0.91 ALDH1A1 (0.43) TP53ALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL18926609 0.91 ALDH1A1 (0.43) ALDH1A1HSD17B10HTTSMN1; SMN2LMNA
SCHEMBL17102108 0.90 ALDH1A1 (0.40) TP53ALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL17101944 0.90 PTGS2 (0.40) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL17101995 0.90 USP2 (0.46) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL17101986 0.90 ALDH1A1 (0.37) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL1021267 0.89 MAPT (0.52) TP53ALDH1A1HSD17B10MAPTHTT

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 14 patents. 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
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-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
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 TP53 612/4885ALDH1A1 1771/4885HSD17B10 848/4885
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 TP53 612/4885ALDH1A1 1771/4885HSD17B10 848/4885

“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.