SCHEMBL21553751

SCHEMBL21553751

O=C(OCc1ccccc1)N1CCC(CCS)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
CYP2C19 P33261 1/20 0.65
GRIN2B Q13224 10/20 0.61
CYP2D6 P10635 4/20 0.60
CYP2C9 P11712 4/20 0.60
FAAH O00519 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 1/20 0.58
CYP3A4 P08684 3/20 0.57
CHRM4 P08173 1/20 0.54
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
ENPP2 Q13822 1/20 0.50

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
SCHEMBL15140566 0.92 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL21551129 0.90 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL458148 0.89 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4364637 0.88 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1837621 0.88 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13519706 0.88 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7369976 0.88 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6823133 0.88 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL21551518 0.86 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
Hydrochloric Acid SCHEMBL14157232 0.86 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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 SMN1; SMN2 2206/4885NPC1 250/4885RAB9A 352/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 SMN1; SMN2 2206/4885NPC1 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.