SCHEMBL13602129

SCHEMBL13602129

COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCC1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.48
▸ STS P08842 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ GPR119 Q8TDV5 2/20 0.46
▸ TP53 P04637 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ YAP1 P46937 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TACR1 P25103 1/20 0.40

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
SCHEMBL28331171 1.00 KEAP1 (0.48) KEAP1NFE2L2STSLMNAGPR119
SCHEMBL4167179 0.87 STS (0.51) KEAP1NFE2L2STSLMNAGPR119
SCHEMBL15507263 0.87 STS (0.51) KEAP1NFE2L2STSLMNAGPR119
SCHEMBL34467906 0.85 KEAP1 (0.49) KEAP1NFE2L2STSLMNAGPR119
SCHEMBL25390723 0.84 STS (0.53) KEAP1NFE2L2STSLMNAGPR119
SCHEMBL519045 0.84 STS (0.53) KEAP1NFE2L2STSLMNAGPR119
SCHEMBL13598203 0.82 MEN1 (0.42) KEAP1NFE2L2KDM4EMAPT
SCHEMBL23051556 0.79 STS (0.48) KEAP1NFE2L2STSLMNAGPR119
SCHEMBL3860246 0.79 ADAM17 (0.51) STSGPR119YAP1
SCHEMBL3860248 0.79 ADAM17 (0.51) STSGPR119YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 — — EP disclosed
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 — — US disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 — — EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 — — EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 — — US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 — — US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 — — CN disclosed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 — — US disclosed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 — — EP disclosed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 — — WO disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 — — 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 (5 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 KEAP1 1223/4885NFE2L2 3993/4885STS 473/4885
US-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 KEAP1 4038/4885NFE2L2 1741/4885STS 4588/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 KEAP1 4038/4885NFE2L2 1741/4885STS 4588/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 KEAP1 3781/4885NFE2L2 1446/4885STS 4667/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 KEAP1 3781/4885NFE2L2 1446/4885STS 4667/4885

“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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