SCHEMBL20005713

SCHEMBL20005713

NC(=S)N1CCC(c2c(F)c(F)c(F)c(F)c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 2/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BTK Q06187 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19995527 1.00 PDE4B (0.40) PDE4BUSP2GAARAB9ANPC1
SCHEMBL19995887 0.87 PDE4B (0.42) PDE4BRAB9ANPC1SMN1; SMN2HTT
SCHEMBL19996150 0.87 PDE4B (0.42) PDE4BRAB9ANPC1SMN1; SMN2HTT
SCHEMBL19995525 0.80 PDE4B (0.42) PDE4BRAB9ANPC1SMN1; SMN2HTT
SCHEMBL19995587 0.80 PDE4B (0.42) PDE4BRAB9ANPC1SMN1; SMN2HTT
SCHEMBL19995521 0.75 RAB9A (0.52) PDE4BGAARAB9ANPC1SMN1; SMN2
SCHEMBL19995606 0.75 RAB9A (0.54) PDE4BGAARAB9ANPC1SMN1; SMN2
SCHEMBL19995535 0.75 RAB9A (0.52) PDE4BGAARAB9ANPC1SMN1; SMN2
SCHEMBL19995557 0.75 RAB9A (0.52) PDE4BGAARAB9ANPC1SMN1; SMN2
SCHEMBL19996004 0.75 RAB9A (0.54) PDE4BGAARAB9ANPC1SMN1; SMN2

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
US-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 US disclosed
US-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-11-07 US disclosed
CN-109715155-A blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2019-05-03 CN disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 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 (3 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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 PDE4B 569/4885USP2 2524/4885GAA 293/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 PDE4B 523/4885USP2 2609/4885GAA 324/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 PDE4B 578/4885USP2 2456/4885GAA 281/4885

“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.