SCHEMBL1497405

SCHEMBL1497405

NC12CC3CC(C1)C(=O)C(C3)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
GRIN1 Q05586 4/20 0.55
GRIN2A Q12879 4/20 0.55
GRIN2D O15399 3/20 0.55
GRIN3B O60391 3/20 0.55
GRIN2B Q13224 3/20 0.55
GRIN2C Q14957 3/20 0.55
GRIN3A Q8TCU5 3/20 0.55
TSHR P16473 2/20 0.55
SLC22A1 O15245 2/20 0.55
NFKB1 P19838 2/20 0.55
SLC22A2 O15244 1/20 0.55
STAT6 P42226 1/20 0.55
SLC47A1 Q96FL8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
THRB P10828 2/20 0.52
PMP22 Q01453 2/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
Hydrochloric Acid SCHEMBL2717718 0.98 LMNA (0.56) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL1497406 0.76 LMNA (0.55) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12758978 0.76 GRIN1 (0.55) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL13968149 0.76 LMNA (0.43) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL13717334 0.73 EPHX2 (0.48) TSHREPHX2NPSR1
Amantadine SCHEMBL15532073 0.73 GRIN1 (1.00) LMNAGRIN1GRIN2AGRIN2DGRIN3B
Amantadine SCHEMBL15672299 0.73 GRIN1 (1.00) LMNAGRIN1GRIN2AGRIN2DGRIN3B
Amantadine SCHEMBL21309814 0.73 GRIN1 (1.00) LMNAGRIN1GRIN2AGRIN2DGRIN3B
Amantadine SCHEMBL21310017 0.73 GRIN1 (1.00) LMNAGRIN1GRIN2AGRIN2DGRIN3B
Amantadine SCHEMBL3642447 0.73 GRIN1 (1.00) LMNAGRIN1GRIN2AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402920-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2022-12-22 US disclosed
CN-107556244-B Fused ring compound, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2021-09-03 CN disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 WO disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 WO disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20120295886-A1 ANTIVIRAL COMPOUNDS AND THEIR METHODS OF USE INFLUMEDIX, INC. (US) 2012-11-22 US disclosed
US-20120295886-A1 ANTIVIRAL COMPOUNDS AND THEIR METHODS OF USE INFLUMEDIX, INC. (US) 2012-11-22 US disclosed
US-20120295886-A1 ANTIVIRAL COMPOUNDS AND THEIR METHODS OF USE INFLUMEDIX, INC. (US) 2012-11-22 US disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed
US-20110318542-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition and Patterning Method Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-4816453-A N-heterocyclic derivatives of benzamides and their use in treating gastric and intestinal disorders BEECHAM GROUP, P.L.C. (GB) 1989-03-28 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 (5 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 LMNA 1831/4885GRIN1 2486/4885GRIN2A 3238/4885
US-20120295886-A1 ANTIVIRAL COMPOUNDS AND THEIR METHODS OF USE MAVS, H1-2, ATP6AP1 LMNA 1527/4885GRIN1 665/4885GRIN2A 697/4885
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 LMNA 1701/4885GRIN1 2482/4885GRIN2A 2171/4885
US-20110318542-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition and Patterning Method Using Same FRG1, AFF2, AFF1 LMNA 2479/4885GRIN1 756/4885GRIN2A 720/4885
US-20220402920-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF DPYD, PNP, TYMP LMNA 1281/4885GRIN1 3883/4885GRIN2A 4497/4885

“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.