SCHEMBL20744376

SCHEMBL20744376

O=C(CCC(F)(F)F)N1CCC(F)(c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SPR P35270 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30305356 1.00 NPC1 (0.51) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20744292 0.90 NPC1 (0.51) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL20744253 0.82 JAK2 (0.43) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL2723186 0.82 HRH3 (0.50) NPC1ALDH1A1SMN1; SMN2
SCHEMBL2724949 0.81 HRH3 (0.48) JAK2JAK1HPGDHSD17B10KDM4E
SCHEMBL2221749 0.79 HSD11B1 (0.47) HPGDHSD17B10CYP3A4CYP2C9HSD11B1
SCHEMBL27666940 0.78 HSD11B1 (0.46) HPGDHSD17B10KDM4ECYP3A4CYP2C9
SCHEMBL18711309 0.78 ALDH1A1 (0.57) HPGDHSD17B10CYP3A4CYP2C9HSD11B1
SCHEMBL27666948 0.78 TRPV1 (0.45) HSD17B10KDM4ECYP3A4HSD11B1SPR
SCHEMBL20743823 0.77 MEN1 (0.52) NPC1NAMPTCYP3A4CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111225910-B Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2023-03-24 — — CN claimed
EP-3668853-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 — — EP claimed
US-20200253967-A1 NOVEL COMPOUNDS BioVersys AG (CH) 2020-08-13 — — US claimed
EP-3668853-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 — — EP claimed
CN-111225910-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-06-02 — — CN claimed
WO-2019034701-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — WO claimed
US-20240307385-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-19 — — US disclosed
US-11969423-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-04-30 — — US disclosed
CN-111225910-B Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2023-03-24 — — CN disclosed
EP-3668853-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 — — EP disclosed
EP-3668853-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 — — EP disclosed
US-20200253967-A1 NOVEL COMPOUNDS BioVersys AG (CH) 2020-08-13 — — US disclosed
US-20200253967-A1 NOVEL COMPOUNDS BioVersys AG (CH) 2020-08-13 — — US disclosed
EP-3668853-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 — — EP disclosed
CN-111225910-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-06-02 — — CN disclosed
WO-2019034701-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — WO disclosed
WO-2019034701-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 (3 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-20240307385-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS NPC1 88/4885PSEN1 2688/4885PSEN2 3190/4885
US-20200253967-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS NPC1 88/4885PSEN1 2688/4885PSEN2 3190/4885
US-11969423-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.

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