SCHEMBL12201562

SCHEMBL12201562

COc1ccccc1CNC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.55
CHRM2 P08172 12/20 0.54
GRIN1 Q05586 4/20 0.54
GRIN2A Q12879 4/20 0.54
BCHE P06276 4/20 0.54
ACHE P22303 4/20 0.54
CHRM4 P08173 4/20 0.54
CHRM5 P08912 4/20 0.54
CHRM1 P11229 4/20 0.54
CHRM3 P20309 4/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
THPO P40225 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL17788587 0.84 KDM4E (0.55) ALDH1A1GAAMAPTBCHEKDM4E
SCHEMBL10245660 0.83 HTT (0.57) ALDH1A1GAAMAPTHTTKDM4E
SCHEMBL17788600 0.82 PDCD1LG2 (0.50) ALDH1A1GAAMAPTHTTCHRM2
SCHEMBL13900365 0.81 MTNR1A (0.57) ALDH1A1GAACHRM2GRIN1GRIN2A
SCHEMBL22548784 0.81 KDM4E (0.49) ALDH1A1GAAHTTBCHEACHE
SCHEMBL22957883 0.80 RIPK1 (0.62) ALDH1A1HTTKDM4ECYP2D6L3MBTL1
SCHEMBL13875905 0.80 HTT (0.51) HTTCYP3A4CYP2D6
SCHEMBL22957772 0.80 HTT (0.51) ALDH1A1GAAMAPTHTTACHE
SCHEMBL19301878 0.80 ABCB1 (0.62) ALDH1A1GAAHTTBCHE
SCHEMBL5695121 0.79 ALDH1A1 (0.79) ALDH1A1GAAMAPTCHRM2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 US disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-7326703-B2 (1,10B-Dihydro-2-(aminocarbonyl-phenyl)-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl methanone derivatives as HIV viral replication inhibitors TIBOTEC PHARMACEUTICALS LTD (IL) 2008-02-05 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
US-7247725-B2 Gamma-aminoamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-07-24 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US 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 (11 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 ALDH1A1 430/4885GAA 2676/4885MAPT 2065/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885GAA 637/4885MAPT 3035/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP ALDH1A1 4742/4885GAA 1055/4885MAPT 4381/4885
US-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 ALDH1A1 2402/4885GAA 1466/4885MAPT 908/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP ALDH1A1 4742/4885GAA 1055/4885MAPT 4381/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 ALDH1A1 430/4885GAA 2676/4885MAPT 2065/4885
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors POLRMT, MAVS, DHX15 ALDH1A1 789/4885GAA 1809/4885MAPT 2629/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT ALDH1A1 662/4885GAA 983/4885MAPT 2389/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 ALDH1A1 430/4885GAA 2676/4885MAPT 2065/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 ALDH1A1 4194/4885GAA 4104/4885MAPT 1730/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT ALDH1A1 799/4885GAA 2832/4885MAPT 559/4885

“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.