SCHEMBL20873103

SCHEMBL20873103

O=C(Nc1ccc2c(c1)CN(C(=O)O)C2)c1cocn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.47
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
BACE1 P56817 2/20 0.44
NAMPT P43490 3/20 0.43
TMPRSS2 O15393 3/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 3/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B3 P37058 1/20 0.39
L3MBTL3 Q96JM7 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
SCHEMBL20873115 0.80 NPC1 (0.59) NAMPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL20873108 0.79 GRM4 (0.56) NAMPTTMPRSS2NPC1RAB9AKMT2A
SCHEMBL20873105 0.78 RAB9A (0.66) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL22493878 0.78 NPC1 (0.44) BACE1NAMPTTMPRSS2NPC1RAB9A
SCHEMBL20873126 0.78 KCNK3 (0.54) NAMPTTMPRSS2NPC1RAB9AACHE
SCHEMBL20873100 0.76 F2R (0.47) F2RPRMT5WDR77NAMPTTMPRSS2
SCHEMBL20873113 0.76 AHR (0.54) PRMT5WDR77NAMPTTMPRSS2NPC1
SCHEMBL20873116 0.76 NAMPT (0.45) NAMPTTMPRSS2NPC1RAB9AKMT2A
SCHEMBL22493893 0.74 LMNA (0.59) NAMPTTMPRSS2NPC1RAB9AACHE
SCHEMBL22493871 0.74 F2R (0.48) F2RPRMT5WDR77BACE1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464289-B1 ULTRA-POTENT VINCA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBULIN DIMER-DIMER INTERFACE SCRIPPS RESEARCH INST (US) 2021-04-21 EP disclosed
US-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-13 US disclosed
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE NATIONAL INSTITUTES OF HEALTH 2020-10-08 US disclosed
EP-3464289-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE The Scripps Research Institute (US) 2019-04-10 EP 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-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface TUBA1C, TUBB2A, TUBA1A F2R 4563/4885PRMT5 2248/4885WDR77 1186/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A F2R 4489/4885PRMT5 2436/4885WDR77 1285/4885

“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.