SCHEMBL20744253

SCHEMBL20744253

O=C(CCC(F)(F)F)N1CCC(F)(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.37
▸ MAP3K12 Q12852 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ TACR1 P25103 1/20 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
SCHEMBL22328946 0.89 NPC1 (0.43) JAK2JAK1NPC1EPHX2PSEN1
SCHEMBL20744376 0.82 NPC1 (0.51) JAK2JAK1NPC1PSEN1PSEN2
SCHEMBL30305356 0.82 NPC1 (0.51) JAK2JAK1NPC1PSEN1PSEN2
SCHEMBL30305345 0.80 NPC1 (0.43) JAK2JAK1NPC1EPHX2PSEN1
SCHEMBL20744416 0.80 NPC1 (0.43) JAK2JAK1NPC1EPHX2PSEN1
SCHEMBL20744350 0.78 JAK2 (0.52) JAK2JAK1NPC1PSEN1PSEN2
SCHEMBL30305349 0.78 JAK2 (0.52) JAK2JAK1NPC1PSEN1PSEN2
SCHEMBL20744061 0.77 PSEN1 (0.44) JAK2JAK1NPC1PSEN1PSEN2
SCHEMBL22328947 0.77 CCR2 (0.42) EPHX2FFAR4
SCHEMBL20750929 0.76 NPC1 (0.42) JAK2JAK1NPC1EPHX2PSEN1

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-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
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

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 JAK2 2943/4885JAK1 2904/4885NPC1 88/4885
US-20200253967-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS JAK2 2943/4885JAK1 2904/4885NPC1 88/4885
US-11969423-B2 Compounds SDHA, SDHB, FDPS JAK2 1858/4885JAK1 2582/4885NPC1 114/4885

“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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