SCHEMBL1105715

SCHEMBL1105715

CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ GPR119 Q8TDV5 6/20 0.47
▸ BTK Q06187 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ USP30 Q70CQ3 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
SCHEMBL1105801 1.00 BRD4 (0.49) BRD4GPR119BTKTACR1ALDH1A1
SCHEMBL4754551 0.91 GPR119 (0.44) BRD4GPR119TACR1ALDH1A1JAK2
SCHEMBL14028094 0.88 MC4R (0.47) GPR119ALDH1A1SMN1; SMN2DPP4
SCHEMBL31450056 0.88 TSHR (0.45) GPR119ALDH1A1NPSR1JAK2JAK1
SCHEMBL5006580 0.86 GPR119 (0.44) GPR119TACR1ALDH1A1MAPK1JAK2
SCHEMBL5006571 0.86 GPR119 (0.44) GPR119TACR1ALDH1A1MAPK1JAK2
SCHEMBL21332097 0.85 EPHX2 (0.44) GPR119BTKALDH1A1JAK2DPP4
SCHEMBL21342315 0.85 EPHX2 (0.44) GPR119BTKALDH1A1JAK2DPP4
SCHEMBL4004318 0.85 PKM (0.51) BRD4GPR119TACR1JAK2JAK1
SCHEMBL3004868 0.85 PKM (0.51) BRD4GPR119TACR1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 — — US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 — — US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 — — US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 — — 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 (1 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 BRD4 1297/4885GPR119 78/4885BTK 3742/4885

“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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