SCHEMBL21551431

SCHEMBL21551431

COC(=O)c1cc(Oc2ccc(N3CCN(C(=O)O)CC3)nc2)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ FURIN P09958 6/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ P2RY12 Q9H244 2/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ OGA O60502 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ PANK3 Q9H999 2/20 0.38

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
SCHEMBL26077248 0.89 RAB9A (0.43) KMT2ANPC1RAB9AFURINDRD4
SCHEMBL30931823 0.88 GPR119 (0.48) —
SCHEMBL21551056 0.88 GPR119 (0.48) —
SCHEMBL29891232 0.88 GPR119 (0.48) —
SCHEMBL21551228 0.86 FURIN (0.52) KMT2ANPC1RAB9AFURIN
SCHEMBL21550974 0.81 GPR119 (0.42) RAB9AFURINMGLLPANK3
SCHEMBL30931853 0.78 FURIN (0.47) FURINOGANR1H2NR1H3
SCHEMBL21551153 0.78 FURIN (0.47) FURINOGANR1H2NR1H3
SCHEMBL31589359 0.78 MGLL (0.53) MGLLPANK3
SCHEMBL30931762 0.77 NR1H2 (0.42) KMT2AMEN1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KMT2A 4129/4885NPC1 250/4885RAB9A 352/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 KMT2A 4129/4885NPC1 250/4885RAB9A 352/4885

“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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