SCHEMBL8222406

SCHEMBL8222406

Cn1ccnc1[C@H](O)[C@@](C)(O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.43
▸ GPR6 P46095 1/20 0.40
▸ CKS1B P61024 2/20 0.38
▸ SKP1 P63208 2/20 0.38
▸ SKP2 Q13309 2/20 0.38
▸ LDHA P00338 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ AR P10275 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ F10 P00742 2/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ SSTR4 P31391 1/20 0.34

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
SCHEMBL8275479 0.89 CKS1B (0.39) GPR6CKS1BSKP1SKP2RPS6KB1
SCHEMBL8217224 0.85 CHRM4 (0.43) CHRM4GPR6LDHACHRNA7RPS6KB1
SCHEMBL8217661 0.78 CHRM4 (0.43) CHRM4GPR6CKS1BSKP1SKP2
SCHEMBL8224777 0.78 NAMPT (0.42) CHRM4
SCHEMBL8222389 0.75 CHRM4 (0.43) CHRM4GPR6CHRNA7RPS6KB1FFAR4
SCHEMBL16356421 0.74 CHRM4 (0.41) CHRM4GPR6LDHACHRNA7AR
SCHEMBL8276124 0.74 CHRM4 (0.42) CHRM4CHRNA7RPS6KB1FFAR4ADAM17
SCHEMBL8222096 0.73 CHRM4 (0.43) CHRM4GPR6LDHACHRNA7RPS6KB1
SCHEMBL8276120 0.73 CHRM4 (0.43) CHRM4GPR6LDHACHRNA7RPS6KB1
SCHEMBL8222101 0.73 CHRM4 (0.44) CHRM4GPR6CHRNA7RPS6KB1FFAR4

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 4627/4885GPR6 1942/4885CKS1B 4036/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CHRM4 4566/4885GPR6 2113/4885CKS1B 3602/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CHRM4 4358/4885GPR6 1945/4885CKS1B 2868/4885

“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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