SCHEMBL2018676

SCHEMBL2018676

O=C(Nc1ccc(C2CC2)cn1)/C(=C/[C@H]1C[C@@H](F)[C@@H](F)C1)c1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 9/20 0.39
GCK P35557 7/20 0.39
DEGS1 O15121 1/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
KCNH2 Q12809 2/20 0.34
CCR7 P32248 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
SCHEMBL2018678 1.00 CCR6 (0.39) CCR6GCKDEGS1CCNKCDK12
SCHEMBL2023882 0.90 GCK (0.47) GCKDEGS1CCNKCDK12
SCHEMBL2028659 0.90 GCK (0.47) GCKDEGS1CCNKCDK12
SCHEMBL2022570 0.86 CCR6 (0.38) CCR6GCKKCNH2CCR7
SCHEMBL2022568 0.86 CCR6 (0.38) CCR6GCKKCNH2CCR7
SCHEMBL2023135 0.85 GCK (0.40) CCR6GCKKCNH2CCR7
SCHEMBL2024033 0.85 GCK (0.40) CCR6GCKKCNH2CCR7
SCHEMBL2024035 0.85 GCK (0.40) CCR6GCKKCNH2CCR7
SCHEMBL2023134 0.85 GCK (0.40) CCR6GCKKCNH2CCR7
SCHEMBL2020628 0.85 GCK (0.40) CCR6GCKKCNH2CCR7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275414-B1 CYCLOPENTYLACRYLAMIDE DERIVATIVE KYORIN SEIYAKU KK (JP) 2015-06-10 EP claimed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US claimed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 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 (2 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 CCR6 2650/4885GCK 188/4885DEGS1 138/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 CCR6 2650/4885GCK 188/4885DEGS1 138/4885

“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.