Sugi Predict

Sugi Predict / Compounds / SCHEMBL21473543

SCHEMBL21473543

SCHEMBL21473543

COc1cc(/N=C/N(C)C)c(C#N)c(OC2CCN(C(=O)OC(C)(C)C)CC2(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 2/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ GPR119 Q8TDV5 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CTSE P14091 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL30727149 0.86 GPR119 (0.38) STSNSD2GPR119PDE4BPDE4A
SCHEMBL28405729 0.86 GPR119 (0.38) STSNSD2GPR119PDE4BPDE4A
SCHEMBL20709081 0.86 GPR119 (0.38) STSNSD2GPR119PDE4BPDE4A
SCHEMBL22232287 0.84 EGFR (0.35) NSD2ALDH1A1KMT2A
SCHEMBL21473392 0.84 EGFR (0.35) NSD2ALDH1A1KMT2A
SCHEMBL22232285 0.84 EGFR (0.35) NSD2ALDH1A1KMT2A
SCHEMBL22064466 0.78 GPR119 (0.37) NSD2GPR119PDE4BPDE4APDE4C
SCHEMBL22064465 0.75 GPR119 (0.35) NSD2GPR119PDE4BPDE4APDE4C
SCHEMBL20709186 0.73 NSD2 (0.42) STSNSD2GPR119PDE4BPDE4A
SCHEMBL27040151 0.73 NSD2 (0.42) STSNSD2GPR119PDE4BPDE4A

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
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 — — US disclosed
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 — — US disclosed
EP-3778589-B1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUND CAPABLE OF PASSING THROUGH BLOOD-BRAIN BARRIER WEISHANG SHANGHAI BIO PHARMACEUTICAL CO LTD (CN) 2022-05-11 — — EP disclosed
EP-3778589-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUND CAPABLE OF PASSING THROUGH BLOOD-BRAIN BARRIER Weishang (Shanghai) Bio-Pharmaceutical Co., Ltd. (CN) 2021-02-17 — — EP disclosed
US-20210017159-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUNDS WITH BLOOD-BRAIN BARRIER PENETRABLE CAPABILITY WEISHANG (SHANGHAI) BIO-PHARMACEUTICAL CO., LTD. (CN) 2021-01-21 — — US disclosed
WO-2019196622-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUND CAPABLE OF PASSING THROUGH BLOOD-BRAIN BARRIER 威尚（上海）生物医药有限公司 2019-10-17 — — 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 (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-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability FYN, KDR, FLT1 STS 2996/4885NSD2 1043/4885GPR119 667/4885
US-20210017159-A1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUNDS WITH BLOOD-BRAIN BARRIER PENETRABLE CAPABILITY FYN, KDR, FLT1 STS 2996/4885NSD2 1043/4885GPR119 667/4885

“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.