SCHEMBL1755679

SCHEMBL1755679

CCc1ccc(C(C)(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CCR9 P51686 3/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PTGS2 P35354 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL30802846 1.00 KDM4E (0.43) KDM4EL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL12303328 0.83 KDM4E (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL12266677 0.83 KDM4E (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL15986681 0.83 L3MBTL1 (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL16544500 0.83 SMN1; SMN2 (0.41) KDM4EL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL16368521 0.83 KDM4E (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10272809 0.83 PDE10A (0.46) KDM4EL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL13718708 0.81 CCR9 (0.37) CCR9
SCHEMBL619744 0.81 CCR9 (0.40) ALDH1A1NPC1RAB9ACCR9CA2
SCHEMBL13188065 0.81 CCR9 (0.40) CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 — — EP disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
EP-4177249-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-10 — — EP disclosed
WO-2023004163-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH ENHANCED IMID ACTIVITY NURIX THERAPEUTICS, INC. (US) 2023-01-26 — — WO disclosed
US-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2023-01-26 — — US disclosed
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 — — US disclosed
US-20210309679-A1 BISPHOSPHONATE DRUG CONJUGATES GUANGZHOU OTHROTX CO., LTD. (CN) 2021-10-07 — — US disclosed
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-07 — — US disclosed
WO-2021113557-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2021-06-10 — — WO disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 — — US disclosed
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2009-04-09 — — US disclosed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 — — US disclosed
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX INC. (US) 2008-05-08 — — US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 — — US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 — — 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 (13 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 KDM4E 3386/4885L3MBTL1 2504/4885ALDH1A1 2674/4885
US-20210309679-A1 BISPHOSPHONATE DRUG CONJUGATES SOST, TGFB1, TGFB2 KDM4E 4020/4885L3MBTL1 3776/4885ALDH1A1 2283/4885
US-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 KDM4E 4343/4885L3MBTL1 2174/4885ALDH1A1 1072/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885L3MBTL1 1131/4885ALDH1A1 344/4885
US-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, LPAR5, S1PR2 KDM4E 383/4885L3MBTL1 4503/4885ALDH1A1 1161/4885
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF SARS1, NSUN3, GTF3C4 KDM4E 1735/4885L3MBTL1 655/4885ALDH1A1 2958/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KDM4E 1886/4885L3MBTL1 3603/4885ALDH1A1 1035/4885
US-20090076064-A1 Compounds CEL, PLA2G2D, CCKBR KDM4E 2862/4885L3MBTL1 3160/4885ALDH1A1 114/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD KDM4E 2302/4885L3MBTL1 3237/4885ALDH1A1 1649/4885
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY NOX1, NOX3, ELANE KDM4E 3928/4885L3MBTL1 2597/4885ALDH1A1 1110/4885
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS KDM4E 1336/4885L3MBTL1 4148/4885ALDH1A1 2777/4885
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 KDM4E 3503/4885L3MBTL1 3746/4885ALDH1A1 2436/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885L3MBTL1 721/4885ALDH1A1 312/4885

“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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