SCHEMBL8213511

SCHEMBL8213511

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.43
▸ ADAM10 O14672 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ HTR1A P08908 4/20 0.34
▸ DRD2 P14416 4/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ PRMT5 O14744 4/20 0.34
▸ WDR77 Q9BQA1 2/20 0.33
▸ DPP8 Q6V1X1 3/20 0.33
▸ DPP7 Q9UHL4 3/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ DPP9 Q86TI2 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL8273738 0.87 ADAM17 (0.45) ADAM17ADAM10MMP12MMP13HTR1A
SCHEMBL8220887 0.85 PRMT5 (0.33) HTR1ADRD2NAMPTPRMT5DPP8
SCHEMBL8274845 0.84 ADAM17 (0.44) ADAM17ADAM10MMP12MMP13HTR1A
SCHEMBL8220831 0.81 ADAM17 (0.46) ADAM17ADAM10MMP12MMP13NAMPT
SCHEMBL8217374 0.79 ADAM17 (0.45) ADAM17ADAM10MMP12MMP13NAMPT
SCHEMBL8275185 0.75 ADAM17 (0.43) ADAM17ADAM10MMP12MMP13HTR1A
SCHEMBL8223420 0.73 ADAM17 (0.43) ADAM17ADAM10MMP12MMP13HTR1A
SCHEMBL8221096 0.70 ADRA1D (0.39) DRD2
SCHEMBL8275918 0.70 NAMPT (0.41) ADAM17HTR1ADRD2NAMPTDPP8
SCHEMBL8273743 0.68 ADAM17 (0.46) ADAM17ADAM10MMP12MMP13NAMPT

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 ADAM17 4/4885ADAM10 9/4885MMP12 1/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885ADAM10 13/4885MMP12 1/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885ADAM10 11/4885MMP12 2/4885

“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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