SCHEMBL21291855

SCHEMBL21291855

N[C@@H]1CCN(C(=O)O)C[C@@H]1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
CACNA1B Q00975 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ATM Q13315 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
NOTUM Q6P988 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
RPS6KB1 P23443 2/20 0.40
MAPT P10636 2/20 0.40
HSD11B1 P28845 2/20 0.39
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL19892791 1.00 KDM1A (0.46) KDM1ACACNA1BRAB9ANPC1ATM
SCHEMBL5620724 1.00 KDM1A (0.46) KDM1ACACNA1BRAB9ANPC1ATM
SCHEMBL15055360 0.88 KDM1A (0.46) KDM1ACACNA1BRAB9ANPC1ATM
SCHEMBL5199579 0.86 MAOA (0.47) KDM1ARAB9ANPC1SIGMAR1MAPT
SCHEMBL15397482 0.86 KDM1A (0.50) KDM1ACACNA1BRAB9ANPC1ATM
SCHEMBL19893577 0.86 MAOA (0.47) KDM1ARAB9ANPC1SIGMAR1MAPT
SCHEMBL19893576 0.86 MAOA (0.47) KDM1ARAB9ANPC1SIGMAR1MAPT
SCHEMBL15397583 0.86 KDM1A (0.50) KDM1ACACNA1BRAB9ANPC1ATM
SCHEMBL1967275 0.86 MAOA (0.47) KDM1ARAB9ANPC1SIGMAR1MAPT
SCHEMBL15397555 0.86 KDM1A (0.50) KDM1ACACNA1BRAB9ANPC1ATM

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-3530655-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-02-09 EP disclosed
US-10676461-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-09 US disclosed
US-20190263784-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
EP-3530655-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-08-28 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-10676461-B2 Heterocyclic compound SPTLC1, SPTLC3, SPTLC2 KDM1A 1034/4885CACNA1B 1878/4885RAB9A 717/4885
US-20190263784-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC3, SPTLC2 KDM1A 1034/4885CACNA1B 1878/4885RAB9A 717/4885

“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.