SCHEMBL8221017

SCHEMBL8221017

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 3/20 0.42
▸ HTR1A P08908 3/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ XIAP P98170 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38

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
SCHEMBL8217012 0.92 HTR1A (0.47) ADAM17HTR1ADRD2ADRA1DADRA1A
SCHEMBL8221487 0.90 ADAM17 (0.40) ADAM17DRD2ADRA1DADRA1AADRA1B
SCHEMBL8274407 0.89 ADAM17 (0.43) ADAM17MEN1KMT2AALDH1A1NAMPT
SCHEMBL8276118 0.89 ADAM17 (0.43) ADAM17MEN1KMT2AALDH1A1NAMPT
SCHEMBL8273765 0.88 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL14494381 0.88 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL8222034 0.88 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL8222661 0.86 ADAM17 (0.53) ADAM17MEN1KMT2A
SCHEMBL8275183 0.86 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL8217041 0.84 CHRM4 (0.47) ADAM17DRD2MEN1KMT2ANAMPT

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 ADAM17 4/4885HTR1A 4466/4885DRD2 4708/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885HTR1A 4159/4885DRD2 4856/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885HTR1A 4317/4885DRD2 4763/4885

“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.

Send feedback