SCHEMBL17101978

SCHEMBL17101978

COc1ccc(S(=O)(=O)N2CC3(CCNCC3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.58
▸ PKLR P30613 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MMP3 P08254 2/20 0.49
▸ MMP10 P09238 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 2/20 0.47

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
SCHEMBL17102104 0.85 PKM (0.71) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL17101991 0.82 MMP3 (0.49) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL1352340 0.80 PKM (0.77) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL17102018 0.80 ALDH1A1 (0.70) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL17102153 0.80 ALDH1A1 (0.70) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL17101998 0.80 PKM (0.61) PKMPKLRNPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL23850555 0.79 CYP3A4 (0.54) L3MBTL1ALDH1A1SMN1; SMN2TSHRHSD17B10
Hydrochloric Acid SCHEMBL3245890 0.79 PKM (0.75) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL18383554 0.78 GAA (0.61) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL17102055 0.78 GAA (0.61) PKMPKLRNPC1RAB9AL3MBTL1

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 17 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 disclosed
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
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
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 258/4885PKLR 566/4885NPC1 94/4885
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 PKM 258/4885PKLR 566/4885NPC1 94/4885

“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.

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