SCHEMBL8217041

SCHEMBL8217041

O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 6/20 0.47
▸ ADAM17 P78536 7/20 0.43
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ ADAM10 O14672 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 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
SCHEMBL8221943 0.92 CHRM4 (0.43) CHRM4ADAM17NAMPT
SCHEMBL8221929 0.91 CHRM4 (0.44) CHRM4ADAM17NAMPTSCN9ADRD2
SCHEMBL8222801 0.91 CHRM4 (0.49) CHRM4ADAM17ADAM10MMP12MMP13
SCHEMBL8223335 0.88 CHRM4 (0.43) CHRM4ADAM17NAMPTSCN9ASSTR1
SCHEMBL8217012 0.88 HTR1A (0.47) ADAM17MEN1KMT2ANAMPTDRD2
SCHEMBL8222066 0.86 CHRM4 (0.45) CHRM4ADAM17DRD2ADAM10MMP12
SCHEMBL8217133 0.86 CHRM4 (0.49) CHRM4ADAM17ADAM10MMP12MMP13
SCHEMBL8275503 0.85 CHRM4 (0.43) CHRM4ADAM17SCN9A
SCHEMBL8224737 0.85 CHRM4 (0.41) CHRM4ADAM17
SCHEMBL8221017 0.84 ADAM17 (0.42) ADAM17MEN1KMT2ANAMPTDRD2

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 14 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
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 CHRM4 4627/4885ADAM17 4/4885MEN1 1218/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CHRM4 4566/4885ADAM17 11/4885MEN1 1618/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CHRM4 4358/4885ADAM17 7/4885MEN1 1741/4885

“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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