SCHEMBL578596

SCHEMBL578596

OC1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
PDE10A Q9Y233 1/20 0.48
ADK P55263 1/20 0.45
LCAT P04180 1/20 0.45
PANK3 Q9H999 1/20 0.43
MAPT P10636 2/20 0.43
SMPD3 Q9NY59 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
OGA O60502 1/20 0.40
SMO Q99835 1/20 0.40
CXCR3 P49682 1/20 0.40

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
SCHEMBL387851 0.90 PDE10A (0.52) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL389193 0.90 PDE10A (0.52) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL387850 0.90 PDE10A (0.52) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9537856 0.86 AKR1C3 (0.44) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3913667 0.85 PDE10A (0.48) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15206004 0.84 AKR1C3 (0.52) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5236585 0.83 AKR1C3 (0.61) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30018285 0.83 AKR1C3 (0.51) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14127792 0.83 GRIN2D (0.49) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14127793 0.83 MAPT (0.57) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246961-A1 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-07-25 US disclosed
US-11970493-B2 Autotaxin inhibitor compounds ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-04-30 US disclosed
EP-4225756-A2 AUTOTAXIN INHIBITOR COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2023-08-16 EP disclosed
CN-116322692-A Autotaxin inhibitor compounds 日东制药株式会社 2023-06-23 CN disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed
US-20220106311-A1 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-07 US disclosed
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
WO-2001094342-A1 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF DONG A PHARM. CO., LTD. (KR) 2001-12-13 WO disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-0605524-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1994-07-13 EP disclosed
WO-1993006118-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1993-04-01 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 AKR1C3 3428/4885GRIN2D 910/4885GRIN3B 1322/4885
US-20240246961-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, ATXN10, ATXN2L AKR1C3 4360/4885GRIN2D 4723/4885GRIN3B 3816/4885
US-20220106311-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, ATXN10, ATXN2L AKR1C3 4360/4885GRIN2D 4723/4885GRIN3B 3816/4885
US-11970493-B2 Autotaxin inhibitor compounds ENPP2, ATXN10, ATXN2L AKR1C3 4360/4885GRIN2D 4723/4885GRIN3B 3816/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 AKR1C3 1978/4885GRIN2D 3006/4885GRIN3B 2132/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL AKR1C3 418/4885GRIN2D 4812/4885GRIN3B 4539/4885

“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.