SCHEMBL20744100

SCHEMBL20744100

CC1=NOC2(CCN(C(=O)CCC(F)(F)F)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NAMPT P43490 2/20 0.36

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
SCHEMBL20743744 0.87 NPC1 (0.46) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743828 0.85 NPC1 (0.43) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20762573 0.85 NPC1 (0.45) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743792 0.85 NPC1 (0.45) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743807 0.85 NPC1 (0.45) NPC1PSEN1PSEN2APH1BNCSTN
Alpibectir SCHEMBL20743785 0.85 NPC1 (0.45) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20744263 0.84 NPC1 (0.42) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743880 0.84 NPC1 (0.44) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20743798 0.82 NPC1 (0.41) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL15837679 0.82 NPC1 (0.43) NPC1

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 14 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
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
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
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 88/4885PSEN1 2688/4885PSEN2 3190/4885
US-11254689-B2 Compounds SDHA, SDHB, FDPS NPC1 114/4885PSEN1 1986/4885PSEN2 2405/4885

“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.