SCHEMBL276768

SCHEMBL276768

CCCCCCC(CCC)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.63
CA1 P00915 1/20 0.63
GRIK1 P39086 2/20 0.52
GRIK2 Q13002 2/20 0.52
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 1/20 0.47
EPHX1 P07099 1/20 0.46
MAPT P10636 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL6251202 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3861238 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL7204823 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3855790 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL7212250 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL1672036 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL490747 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3452084 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL7209672 1.00 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
Hydrochloric Acid SCHEMBL25419337 0.98 CA2 (0.61) CA2CA1GRIK1GRIK2SLC1A2

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
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO claimed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP claimed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO claimed
EP-2069346-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-06-17 EP claimed
WO-2008118743-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO claimed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
CN-117616030-A Orexin receptor agonists and uses thereof 爵士制药爱尔兰有限公司 2024-02-27 CN disclosed
CN-115151534-B Inhibitors of interleukin-1 receptor associated kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof and methods of use thereof 南京药石科技股份有限公司 2024-02-06 CN disclosed
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 CN disclosed
CN-111741946-B Indoleamine 2, 3-dioxygenase inhibitors and their use in medicine 厦门宝太生物科技股份有限公司 2022-09-23 CN disclosed
CN-114761086-A Pyridazinones as PARP7 inhibitors 里邦医疗公司 2022-07-15 CN disclosed
CN-111471011-B Preparation method of high-activity indoleamine 2, 3-dioxygenase inhibitor 杭州阿诺生物医药科技有限公司 2021-06-01 CN disclosed
EP-1685832-A1 NERVE REGENERATION PROMOTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-02 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (2 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 CA2 2631/4885CA1 2516/4885GRIK1 1761/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 CA2 346/4885CA1 11/4885GRIK1 20/4885

“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.