SCHEMBL8220887

SCHEMBL8220887

[C-]#[N+]c1ccccc1N1CCC(C)(CNC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ HTR1A P08908 5/20 0.32
▸ DRD2 P14416 5/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ NOTUM Q6P988 2/20 0.31
▸ DPP8 Q6V1X1 4/20 0.31
▸ DPP7 Q9UHL4 3/20 0.31
▸ HDAC8 Q9BY41 2/20 0.30
▸ BDKRB1 P46663 1/20 0.30
▸ DPP9 Q86TI2 2/20 0.30
▸ DPP4 P27487 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
SCHEMBL8275918 0.85 NAMPT (0.41) HTR1ADRD2NAMPTDPP8BDKRB1
SCHEMBL8213511 0.85 ADAM17 (0.43) PRMT5SMYD3HTR1ADRD2NAMPT
SCHEMBL8216981 0.84 MEN1 (0.38) PRMT5HTR1ADRD2NAMPTDPP8
SCHEMBL8223637 0.82 NAMPT (0.39) PRMT5NAMPTNOTUMDPP8DPP7
SCHEMBL8213997 0.81 NAMPT (0.37) PRMT5NAMPT
SCHEMBL8273738 0.72 ADAM17 (0.45) HTR1ADRD2NAMPT
SCHEMBL8275985 0.71 MEN1 (0.41) DRD2NAMPT
SCHEMBL8221036 0.70 NAMPT (0.46) NAMPTNOTUMDPP8DPP7HDAC8
SCHEMBL8274845 0.70 ADAM17 (0.44) HTR1ADRD2NAMPT
SCHEMBL8415324 0.69 ADAM17 (0.47) DRD2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — 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 (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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 PRMT5 4133/4885SMYD3 1776/4885HTR1A 4466/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF PRMT5 3853/4885SMYD3 2307/4885HTR1A 4159/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 PRMT5 2935/4885SMYD3 3568/4885HTR1A 4317/4885

“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.

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