Sugi Predict

Sugi Predict / Compounds / SCHEMBL15535810

SCHEMBL15535810

SCHEMBL15535810

O=C(NC1CCCCC1)c1cccc(B(O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.65
▸ NPC1 O15118 4/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ GFER P55789 1/20 0.60
▸ HTT P42858 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ HPGD P15428 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ GRM5 P41594 1/20 0.56
▸ KDM1A O60341 1/20 0.56
▸ ERN1 O75460 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL3040194 0.98 L3MBTL1 (0.64) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL148956 0.92 NPC1 (0.56) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL20850172 0.88 NPC1 (0.58) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL29953351 0.87 NPC1 (0.51) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL9265040 0.86 RAB9A (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL6707186 0.86 RAB9A (0.79) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL18579817 0.83 KMT2A (0.50) RAB9ANPC1L3MBTL1HTTALDH1A1
SCHEMBL13294374 0.82 GRM5 (0.81) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL531915 0.81 NPC1 (0.66) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL19445791 0.81 RAB9A (0.72) RAB9ANPC1L3MBTL1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 — — US disclosed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 — — US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 — — US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 — — EP disclosed
CN-111454246-A Soluble epoxide hydrolase inhibitors and uses thereof X-化学有限公司 2020-07-28 — — CN disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 — — US disclosed
CN-107074771-B Soluble epoxide hydrolase inhibitors and uses thereof X-化学有限公司 2020-03-20 — — CN disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 — — US disclosed
US-20170240526-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2017-08-24 — — US disclosed
US-20170240526-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2017-08-24 — — US disclosed
EP-3186228-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND USES THEREOF X-Chem, Inc. (US) 2017-07-05 — — EP disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 — — US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 — — EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 — — US disclosed
WO-2016033150-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND USES THEREOF X-CHEM, INC. (US) 2016-03-03 — — WO disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 — — US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 — — EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 — — 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 (9 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 RAB9A 340/4885NPC1 3024/4885L3MBTL1 3725/4885
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RAB9A 1274/4885NPC1 1606/4885L3MBTL1 612/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 RAB9A 340/4885NPC1 3024/4885L3MBTL1 3725/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RAB9A 1274/4885NPC1 1606/4885L3MBTL1 612/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 RAB9A 340/4885NPC1 3024/4885L3MBTL1 3725/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RAB9A 1274/4885NPC1 1606/4885L3MBTL1 612/4885
US-20170240526-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND USES THEREOF EPHX1, EPHX2, LTA4H RAB9A 3440/4885NPC1 1862/4885L3MBTL1 4572/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RAB9A 1274/4885NPC1 1606/4885L3MBTL1 612/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT RAB9A 1274/4885NPC1 1606/4885L3MBTL1 612/4885

“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.