SCHEMBL9320311

SCHEMBL9320311

O=C1NCCCCC1(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.37
CRBN Q96SW2 1/20 0.37
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
OR51E2 Q9H255 1/20 0.33
CCR2 P41597 1/20 0.30

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
SCHEMBL21001975 0.93
SCHEMBL8778459 0.76 FKBP5 (0.37) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL9129408 0.75 CRBN (0.40) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL1688444 0.74 FKBP5 (0.36) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL11316947 0.73 FKBP5 (0.39) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL6673999 0.73 FKBP5 (0.39) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL23009712 0.71 FKBP5 (0.37) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL11723152 0.71 FKBP5 (0.37) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL466252 0.71 FKBP5 (0.37) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL6118648 0.71 FKBP5 (0.37) FKBP5CRBNGRIN1GRIN2AOR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US claimed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 WO disclosed
US-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 US disclosed
US-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 US disclosed
EP-0267277-B1 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS WHITBY RESEARCH INC (US) 1994-01-19 EP disclosed
EP-0267277-A4 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. NELSON RES & DEV COMPANY (US) 1990-03-21 EP disclosed
US-4755535-A Compositions comprising 1-substituted azacycloalkenes NELSON RESEARCH & DEVELOPMENT CO. (US) 1988-07-05 US disclosed
EP-0267277-A1 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. NELSON RES & DEV (US) 1988-05-18 EP disclosed
WO-1987006583-A1 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1987-11-05 WO disclosed
US-4520021-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1985-05-28 US disclosed
US-4409146-A Substituted caprolactam derivatives as antihypertensives MERCK & CO., INC. (US) 1983-10-11 US disclosed
EP-0049505-A2 Substituted caprolactam derivatives, a process for preparing and a pharmaceutical composition containing the same, and intermediates MERCK & CO. INC. (US) 1982-04-14 EP disclosed
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 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 (1 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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 FKBP5 1624/4885CRBN 3341/4885GRIN1 2341/4885

“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.