SCHEMBL8275918

SCHEMBL8275918

CC(=O)O[C@@H](C(=O)NCC1(C)CCN(c2ccccc2C#N)CC1)[C@@H](OC(C)=O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ DRD2 P14416 6/20 0.37
▸ DRD4 P21917 5/20 0.37
▸ DRD3 P35462 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ BDKRB1 P46663 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ THRB P10828 2/20 0.34

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
SCHEMBL8220887 0.85 PRMT5 (0.33) NAMPTDRD2HTR1ABDKRB1DPP8
SCHEMBL8274845 0.85 ADAM17 (0.44) NAMPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8415324 0.83 ADAM17 (0.47) NAMPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8415560 0.81 ADAM17 (0.40) NAMPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8276821 0.80 ADAM17 (0.42) NAMPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8223420 0.74 ADAM17 (0.43) NAMPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8221036 0.73 NAMPT (0.46) NAMPTLMNAADAM17DPP8
SCHEMBL8273738 0.72 ADAM17 (0.45) NAMPTDRD2ALDH1A1HTR1AADAM17
SCHEMBL8275985 0.71 MEN1 (0.41) NAMPTDRD2ALDH1A1KDM4ELMNA
SCHEMBL13544574 0.70 NAMPT (0.43) NAMPTDRD2DRD4DRD3ALDH1A1

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-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
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 NAMPT 537/4885DRD2 4708/4885DRD4 4679/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF NAMPT 451/4885DRD2 4856/4885DRD4 4858/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 NAMPT 611/4885DRD2 4763/4885DRD4 4770/4885

“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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