SCHEMBL6749028

SCHEMBL6749028

CN1CC2CCCC(C1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL21220415 1.00 MAPK1 (0.38) MAPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2926149 0.95 SLC6A2 (0.37) MAPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1706254 0.90 YTHDF2 (0.33) MAPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6750420 0.87 DRD2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10659466 0.87 SLC6A2 (0.37) KDM4ESLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9115684 0.84 KMT2A (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12243196 0.79
SCHEMBL6749046 0.75 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6779505 0.75
SCHEMBL21238250 0.75 ATM (0.34) MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed
US-4797406-A MIGRAINES, ANTIARRHYTHMIA AGENTS SANDOZ LTD. (CH) 1989-01-10 US disclosed
WO-1985001048-A1 AROMATIC ESTERS OR AMIDES OF CARBOXYLIC ACID AND SULFONIC ACID SANDOZ AG (CH) 1985-03-14 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 MAPK1 1345/4885CHRNB2 3548/4885CHRNB4 2968/4885
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 MAPK1 1166/4885CHRNB2 522/4885CHRNB4 808/4885

“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.