SCHEMBL20744263

SCHEMBL20744263

COC1=NOC2(CCN(C(=O)CCC(F)(F)F)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NAMPT P43490 2/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL20743798 0.88 NPC1 (0.41) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743791 0.87 NPC1 (0.42) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743731 0.86 NPC1 (0.40) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743743 0.85 NPC1 (0.39) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20761919 0.84 ALDH1A1 (0.39) NPC1MEN1ALDH1A1KMT2AGPR119
SCHEMBL20744100 0.84 NPC1 (0.45) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743744 0.84 NPC1 (0.46) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743828 0.82 NPC1 (0.43) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743792 0.81 NPC1 (0.45) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743807 0.81 NPC1 (0.45) NPC1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997680-B Novel compound 葛兰素史密斯克莱知识产权发展有限公司 2022-10-21 CN claimed
US-11254689-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US claimed
EP-3668879-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 EP claimed
US-20210032268-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-04 US claimed
EP-3668879-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 EP claimed
WO-2019034700-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 WO claimed
CN-110997680-B Novel compound 葛兰素史密斯克莱知识产权发展有限公司 2022-10-21 CN disclosed
US-11254689-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US disclosed
US-11254689-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US disclosed
EP-3668879-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 EP disclosed
EP-3668879-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 EP disclosed
US-20210032268-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-04 US disclosed
US-20210032268-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-04 US disclosed
EP-3668879-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 EP disclosed
WO-2019034700-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 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-20210032268-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS NPC1 88/4885MEN1 2095/4885ALDH1A1 791/4885
US-11254689-B2 Compounds SDHA, SDHB, FDPS NPC1 114/4885MEN1 604/4885ALDH1A1 207/4885

“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.