SCHEMBL8221812

SCHEMBL8221812

CC(=O)O[C@@H](C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1)[C@@H](OC(C)=O)C(=O)N1Cc2cnn(C)c2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 7/20 0.38
▸ HPGDS O60760 1/20 0.35
▸ RET P07949 2/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ RPS6KB1 P23443 2/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ GPR6 P46095 2/20 0.31
▸ PDPK1 O15530 1/20 0.31

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
SCHEMBL14452908 1.00 CHRM4 (0.38) CHRM4HPGDSRETADAM17RPS6KB1
SCHEMBL8274740 0.90 HPGDS (0.36) HPGDSRPS6KB1DGAT2
SCHEMBL8217550 0.88 ADAM17 (0.44) CHRM4HPGDSRETADAM17RPS6KB1
SCHEMBL14452920 0.86 CHRM4 (0.41) CHRM4RETADAM17NAMPTGPR6
SCHEMBL8221551 0.86 CHRM4 (0.41) CHRM4RETADAM17NAMPTGPR6
SCHEMBL14452921 0.82 CHRM4 (0.47) CHRM4RETADAM17RPS6KB1CHRNA7
SCHEMBL8221818 0.82 CHRM4 (0.47) CHRM4RETADAM17RPS6KB1CHRNA7
SCHEMBL14452911 0.79 CHRM4 (0.38) CHRM4RETADAM17RPS6KB1CHRNA7
SCHEMBL8223297 0.79 CHRM4 (0.38) CHRM4RETADAM17RPS6KB1CHRNA7
SCHEMBL8415324 0.79 ADAM17 (0.47) CHRM4ADAM17NAMPT

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 4627/4885HPGDS 438/4885RET 4328/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CHRM4 4566/4885HPGDS 380/4885RET 4546/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CHRM4 4358/4885HPGDS 201/4885RET 3520/4885

“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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