SCHEMBL8223565

SCHEMBL8223565

C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CC=C[C@@H]1c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 17/20 0.75
▸ ADAM10 O14672 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ GRM1 Q13255 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CHRM4 P08173 1/20 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
SCHEMBL12214279 0.86 ADAM17 (1.00) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8217816 0.86 ADAM17 (1.00) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8217820 0.81 ADAM17 (0.70) ADAM17GRM1DRD2DRD4CHRM4
SCHEMBL8217827 0.81 ADAM17 (0.70) ADAM17GRM1DRD2DRD4CHRM4
SCHEMBL8275879 0.75 ADAM17 (0.81) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8217862 0.74 ADAM17 (0.60) ADAM17ADAM10MMP13GRM1DRD2
SCHEMBL8275634 0.74 ADAM17 (0.79) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL8222061 0.73 ADAM17 (0.59) ADAM17CHRM4
SCHEMBL8213991 0.70 ADAM17 (0.55) ADAM17DRD2DRD4CHRM4
SCHEMBL8221185 0.69 ADAM17 (0.67) ADAM17ADAM10MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — 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 (1 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-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885ADAM10 13/4885MMP1 31/4885

“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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