SCHEMBL8216981

SCHEMBL8216981

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NAMPT P43490 7/20 0.37
▸ DRD2 P14416 2/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ DPP7 Q9UHL4 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ HTR1A P08908 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
SCHEMBL8213997 0.95 NAMPT (0.37) MEN1KMT2ANAMPTADAM17MTNR1A
SCHEMBL8223637 0.91 NAMPT (0.39) MEN1KMT2ANAMPTMTNR1AMTNR1B
SCHEMBL8275985 0.88 MEN1 (0.41) MEN1KMT2ANAMPTDRD2MTNR1A
SCHEMBL8415324 0.85 ADAM17 (0.47) MEN1KMT2ANAMPTDRD2ADAM17
SCHEMBL8220887 0.84 PRMT5 (0.33) NAMPTDRD2PRMT5DPP8DPP9
SCHEMBL8220831 0.84 ADAM17 (0.46) MEN1KMT2ANAMPTADAM17MTNR1A
SCHEMBL8276821 0.80 ADAM17 (0.42) MEN1KMT2ANAMPTDRD2ADAM17
SCHEMBL8220841 0.80 MEN1 (0.39) MEN1KMT2ANAMPTDRD2ADAM17
SCHEMBL8217500 0.79 ALDH1A1 (0.50) MEN1KMT2ANAMPTPKM
SCHEMBL8275946 0.78 NAMPT (0.41) MEN1KMT2ANAMPTMTNR1AMTNR1B

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 MEN1 1218/4885KMT2A 3890/4885NAMPT 537/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF MEN1 1618/4885KMT2A 3845/4885NAMPT 451/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 MEN1 1741/4885KMT2A 4171/4885NAMPT 611/4885

“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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