SCHEMBL19995535

SCHEMBL19995535

NC(=S)N1CCC(c2cc(F)cc(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PDE4B Q07343 1/20 0.49
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SCD5 Q86SK9 2/20 0.37
MAPT P10636 3/20 0.36
NPY5R Q15761 1/20 0.36
GAA P10253 3/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL19995557 1.00 RAB9A (0.52) RAB9ANPC1SMN1; SMN2PDE4BATM
SCHEMBL19995521 1.00 RAB9A (0.52) RAB9ANPC1SMN1; SMN2PDE4BATM
SCHEMBL19996004 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2PDE4BATM
SCHEMBL19995606 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2PDE4BATM
SCHEMBL19995587 0.83 PDE4B (0.42) RAB9ANPC1SMN1; SMN2PDE4BATM
SCHEMBL19995525 0.83 PDE4B (0.42) RAB9ANPC1SMN1; SMN2PDE4BATM
SCHEMBL19995563 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19995581 0.80 PDE4B (0.55) RAB9ANPC1SMN1; SMN2PDE4BHTT
SCHEMBL19995584 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19995520 0.79 PDE4B (0.43) RAB9ANPC1SMN1; SMN2PDE4BATM

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 9 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
EP-3515433-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-07-31 EP 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
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 RAB9A 943/4885NPC1 244/4885SMN1; SMN2 1617/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 RAB9A 970/4885NPC1 274/4885SMN1; SMN2 1758/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 RAB9A 967/4885NPC1 271/4885SMN1; SMN2 1745/4885

“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.