SCHEMBL8213997

SCHEMBL8213997

[C-]#[N+]c1ccccc1N1CCC(CNC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N2Cc3ccccc3C2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MTNR1A P48039 4/20 0.33
▸ MTNR1B P49286 4/20 0.33
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL8216981 0.95 MEN1 (0.38) NAMPTMEN1KMT2AKDM4EMTNR1A
SCHEMBL8223637 0.93 NAMPT (0.39) NAMPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8276821 0.86 ADAM17 (0.42) NAMPTMEN1KMT2AALDH1A1MAPT
SCHEMBL8275985 0.83 MEN1 (0.41) NAMPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8220887 0.81 PRMT5 (0.33) NAMPTPRMT5
SCHEMBL8275946 0.81 NAMPT (0.41) NAMPTMEN1KMT2AALDH1A1TDP1
SCHEMBL8415324 0.80 ADAM17 (0.47) NAMPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8220831 0.79 ADAM17 (0.46) NAMPTMEN1KMT2AKDM4EMTNR1A
SCHEMBL8223675 0.78 DRD2 (0.47) NAMPTKDM4ETDP1
SCHEMBL8415560 0.78 ADAM17 (0.40) NAMPTMEN1KMT2AALDH1A1KDM4E

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

“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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