Sugi Predict

Sugi Predict / Compounds / SCHEMBL238514

SCHEMBL238514

SCHEMBL238514

CCOc1ncccc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ HPGD P15428 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ TSHR P16473 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ SLC13A5 Q86YT5 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL12754891 0.84 KDM4E (0.45) ALDH1A1HPGDMAPTKDM4EGLA
SCHEMBL28311734 0.80 KDM4E (0.49) ALDH1A1MAPTKDM4ETSHRNPC1
SCHEMBL5593086 0.79 KDM4E (0.47) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL1685043 0.78 — —
SCHEMBL10514419 0.78 ALDH1A1 (0.46) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL323831 0.78 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKDM4EGLA
SCHEMBL131465 0.77 PDE1A (0.46) ALDH1A1HPGDMAPTKDM4EGLA
SCHEMBL21859753 0.77 HPGD (0.46) ALDH1A1HPGDL3MBTL1TSHRNPC1
SCHEMBL31078868 0.77 HPGD (0.55) ALDH1A1HPGDMAPTGLAL3MBTL1
SCHEMBL1697616 0.77 HPGD (0.55) ALDH1A1HPGDMAPTGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3270920-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2020-06-17 — — EP disclosed
US-10188758-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-01-29 — — US disclosed
US-20180099060-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2018-04-12 — — US disclosed
EP-3270920-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2018-01-24 — — EP disclosed
WO-2016154027-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-09-29 — — WO disclosed
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 — — US disclosed
EP-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 — — EP disclosed
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF PROXIMAGEN LIMITED (GB) 2014-11-06 — — US disclosed
US-8835439-B2 Pharmaceutical composition containing (2R)-methyl-1-3-[2-(3-pyridinyloxy)ethoxy]-2-pyrazinylpiperazine L-malate for treatment of serotonin-related diseases PROXIMAGEN LIMITED (GB) 2014-09-16 — — US disclosed
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof BIOVITRUM AB (PUBL) (SE) 2013-06-20 — — US disclosed
WO-2007072164-A2 ESTROGEN MODULATORS PFIZER PRODUCTS INC. (US) 2007-06-28 — — WO disclosed
WO-2007072150-A2 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-06-28 — — WO disclosed
US-20070142389-A1 PIPERIDINE DERIVATIVES PFIZER INC. (US) 2007-06-21 — — US disclosed
US-7129354-B2 Process for the preparation of stable acid addition salt of 2,3-disubstituted pyrazine compounds BIOVITRUM AB (SE) 2006-10-31 — — US disclosed
EP-1529043-B1 Process for the preparation of 2-methyl piperazine derivatives. BIOVITRUM AB (SE) 2006-08-02 — — EP disclosed
US-20060142578-A1 Novel process BIOVITRUM AB, A SWEDEN CORPORATION 2006-06-29 — — US disclosed
EP-1645558-A1 Piperazinylpyrazines as serotonin 5-HT2C receptor modulators BIOVITRUM AB (SE) 2006-04-12 — — EP disclosed
EP-1529043-A1 NOVEL PROCESS Biovitrum AB (SE) 2005-05-11 — — EP disclosed
US-20040038981-A1 Novel Process PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-26 — — US disclosed
WO-2004000829-A1 NOVEL PROCESS BIOVITRUM AB (SE) 2003-12-31 — — 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 (7 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-20070142389-A1 PIPERIDINE DERIVATIVES CFTR, HDAC10, RPP30 ALDH1A1 87/4885HPGD 1929/4885MAPT 3203/4885
US-10188758-B2 Organic compounds SLC6A2, PNMT, SLC6A4 ALDH1A1 806/4885HPGD 951/4885MAPT 158/4885
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof HTR2C, HTR5A, HTR2A ALDH1A1 286/4885HPGD 595/4885MAPT 2466/4885
US-20040038981-A1 Novel Process HTR1A, TPH1, HTR1B ALDH1A1 193/4885HPGD 847/4885MAPT 2563/4885
US-20060142578-A1 Novel process HTR1A, TPH1, HTR5A ALDH1A1 471/4885HPGD 583/4885MAPT 2377/4885
US-20180099060-A1 ORGANIC COMPOUNDS SLC6A2, PNMT, SLC6A4 ALDH1A1 806/4885HPGD 951/4885MAPT 158/4885
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A ALDH1A1 286/4885HPGD 595/4885MAPT 2466/4885

“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.