SCHEMBL21551489

SCHEMBL21551489

CC(=O)NC1CCN(c2ccc(Br)cn2)CC1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.45
▸ ACACB O00763 2/20 0.44
▸ AKR1C3 P42330 1/20 0.41
▸ JAK2 O60674 3/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ MAP3K9 P80192 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CAMK2A Q9UQM7 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ PANK3 Q9H999 1/20 0.40

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
SCHEMBL27050678 1.00 OPRK1 (0.45) OPRK1ACACBAKR1C3JAK2JAK1
SCHEMBL29890824 1.00 OPRK1 (0.45) OPRK1ACACBAKR1C3JAK2JAK1
SCHEMBL21551487 1.00 OPRK1 (0.45) OPRK1ACACBAKR1C3JAK2JAK1
SCHEMBL21551488 1.00 OPRK1 (0.45) OPRK1ACACBAKR1C3JAK2JAK1
SCHEMBL21551620 0.89 JAK2 (0.43) OPRK1ACACBAKR1C3JAK2JAK1
SCHEMBL21551623 0.89 JAK2 (0.43) OPRK1ACACBAKR1C3JAK2JAK1
SCHEMBL21551621 0.89 JAK2 (0.43) OPRK1ACACBAKR1C3JAK2JAK1
SCHEMBL21564574 0.85 RET (0.45) OPRK1JAK3CHRM4SYK
SCHEMBL28542249 0.85 RET (0.45) OPRK1JAK3CHRM4SYK
SCHEMBL21564571 0.85 RET (0.45) OPRK1JAK3CHRM4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 — — EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 — — US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 — — US disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 — — EP disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 — — 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-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 OPRK1 4795/4885ACACB 1713/4885AKR1C3 1079/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 OPRK1 4795/4885ACACB 1713/4885AKR1C3 1079/4885

“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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