SCHEMBL21296780

SCHEMBL21296780

COc1cn[nH]c1-c1ccccc1NC(=O)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.54
ADRA1A P35348 5/20 0.54
ADRA1B P35368 5/20 0.54
MCHR1 Q99705 5/20 0.51
BRD4 O60885 1/20 0.49
JAK1 P23458 1/20 0.49
HDAC1 Q13547 1/20 0.49
AURKA O14965 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
LTA4H P09960 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
DYRK1A Q13627 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21296835 0.92 ESR1 (0.50) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296795 0.88 MCHR1 (0.50) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296769 0.88 MCHR1 (0.51) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296831 0.88 MCHR1 (0.51) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296811 0.87 MCHR1 (0.49) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296760 0.86 MCHR1 (0.50) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296819 0.81 MCHR1 (0.54) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296747 0.81 KDR (0.53) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296789 0.81 MCHR1 (0.51) ADRA1DADRA1AADRA1BMCHR1BRD4
SCHEMBL21296804 0.81 MCHR1 (0.51) ADRA1DADRA1AADRA1BMCHR1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 WO disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 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 (3 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 ADRA1D 3229/4885ADRA1A 2843/4885ADRA1B 2004/4885
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G ADRA1D 3531/4885ADRA1A 3472/4885ADRA1B 2189/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 ADRA1D 3229/4885ADRA1A 2843/4885ADRA1B 2004/4885

“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.