SCHEMBL2586590

SCHEMBL2586590

COC(=O)c1ccc(OC(C)C)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.47
P2RX3 P56373 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NOTUM Q6P988 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL31475537 0.87 HTT (0.50) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL6581028 0.87 HTT (0.50) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL1092306 0.87 CA12 (0.54) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL1091755 0.83 RAB9A (0.67) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL1091884 0.83 KCNQ3 (0.53) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL1988161 0.83 HTT (0.71) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL25139939 0.82 KCNQ3 (0.55) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL6568018 0.82 MAPT (0.66) MAPK1RAB9ALMNAMAPTCA12
SCHEMBL28663604 0.82 MAPT (0.66) MAPK1RAB9ALMNAMAPTCA12
SCHEMBL6529701 0.82 MGLL (0.49) MAPK1MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 US disclosed
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 US disclosed
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof BEIJING FORELAND PHARMA CO., LTD. (CN) 2023-02-21 US disclosed
US-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF BEIJING FORELAND PHARMA CO., LTD. (CN) 2021-11-11 US disclosed
EP-3647309-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Beijing Foreland Pharma Co., Ltd. (CN) 2020-05-06 EP disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
EP-3056495-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-08-17 EP disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2012106499-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 WO disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 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 (6 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KCNQ3 50/4885KCNQ2 19/4885MAPK1 3165/4885
US-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SSB, HLA-DRB1, LCP2 KCNQ3 2092/4885KCNQ2 2532/4885MAPK1 2355/4885
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF CYP11B2, ALDH7A1, CYP11B1 KCNQ3 2564/4885KCNQ2 2340/4885MAPK1 1484/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KCNQ3 93/4885KCNQ2 48/4885MAPK1 1832/4885
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof SSB, HLA-DRB1, LCP2 KCNQ3 2092/4885KCNQ2 2532/4885MAPK1 2355/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 KCNQ3 50/4885KCNQ2 19/4885MAPK1 3165/4885

“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.