SCHEMBL8221487

SCHEMBL8221487

CC(C)COc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRM4 P08173 3/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ CHRM5 P08912 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ FAAH O00519 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ DPP8 Q6V1X1 3/20 0.36
▸ DPP9 Q86TI2 3/20 0.36
▸ DPP7 Q9UHL4 3/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36

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
SCHEMBL8221017 0.90 ADAM17 (0.42) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL8274927 0.88 MEN1 (0.42) ADAM17MEN1KMT2ACHRM4CHRM2
SCHEMBL8274407 0.86 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL8276118 0.86 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL8273765 0.85 ADAM17 (0.43) ADAM17MEN1KMT2ACHRM4NAMPT
SCHEMBL14494381 0.85 ADAM17 (0.43) ADAM17MEN1KMT2ACHRM4NAMPT
SCHEMBL8222034 0.85 ADAM17 (0.43) ADAM17MEN1KMT2ACHRM4NAMPT
SCHEMBL8217012 0.83 HTR1A (0.47) ADAM17MEN1KMT2ANAMPTDRD2
SCHEMBL8222661 0.83 ADAM17 (0.53) ADAM17MEN1KMT2ACHRM4
SCHEMBL8275183 0.83 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTDPP8

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 12 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
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 ADAM17 4/4885MEN1 1218/4885KMT2A 3890/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885MEN1 1618/4885KMT2A 3845/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885MEN1 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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