SCHEMBL8218328

SCHEMBL8218328

Cc1cnc([C@H](O)[C@@H](O)C(=O)NCC2CCN(c3ccc(F)cc3C#N)CC2)n1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 6/20 0.42
▸ ADAM17 P78536 3/20 0.41
▸ RPS6KB1 P23443 2/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ RET P07949 2/20 0.35
▸ LDHA P00338 1/20 0.35

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
SCHEMBL8276124 0.91 CHRM4 (0.42) CHRM4ADAM17RPS6KB1USP30PDPK1
SCHEMBL8215183 0.91 CHRM4 (0.42) CHRM4ADAM17RPS6KB1USP30PDPK1
SCHEMBL8222096 0.89 CHRM4 (0.43) CHRM4ADAM17RPS6KB1USP30PDPK1
SCHEMBL8273638 0.88 ALDH1A1 (0.38) ADAM17RPS6KB1
SCHEMBL8215295 0.88 CHRM4 (0.45) CHRM4ADAM17USP30CETP
SCHEMBL8215167 0.87 CHRM4 (0.47) CHRM4ADAM17USP30PDPK1
SCHEMBL8217224 0.86 CHRM4 (0.43) CHRM4ADAM17RPS6KB1USP30FFAR4
SCHEMBL8222101 0.85 CHRM4 (0.44) CHRM4ADAM17RPS6KB1USP30FFAR4
SCHEMBL8222389 0.84 CHRM4 (0.43) CHRM4ADAM17RPS6KB1USP30FFAR4
SCHEMBL8224033 0.83 CHRM4 (0.44) CHRM4ADAM17USP30

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 13 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-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-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-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-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-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
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 CHRM4 4627/4885ADAM17 4/4885RPS6KB1 3909/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CHRM4 4566/4885ADAM17 11/4885RPS6KB1 3037/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CHRM4 4358/4885ADAM17 7/4885RPS6KB1 1456/4885

“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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