SCHEMBL19995534

SCHEMBL19995534

Cc1cccc(C2CCN(C(N)=S)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
PDE4B Q07343 1/20 0.54
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
DRD5 P21918 1/20 0.52
DRD3 P35462 1/20 0.52
RAB9A P51151 6/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HTT P42858 3/20 0.46
ALDH1A1 P00352 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
HTR2C P28335 2/20 0.45

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
SCHEMBL19996013 1.00 GAA (0.55) GAAPDE4BDRD2DRD1DRD4
SCHEMBL19995564 0.82 RAB9A (0.56) GAAPDE4BRAB9ANPC1SMN1; SMN2
SCHEMBL20005696 0.82 RAB9A (0.56) GAAPDE4BRAB9ANPC1SMN1; SMN2
SCHEMBL19995815 0.82 RAB9A (0.56) GAAPDE4BRAB9ANPC1SMN1; SMN2
SCHEMBL16785547 0.81 NPC1 (0.56) GAAPDE4BDRD2DRD1DRD4
SCHEMBL16785546 0.79 NPC1 (0.54) GAADRD2DRD1DRD4DRD5
SCHEMBL16785545 0.78 RAB9A (0.62) GAADRD2DRD1DRD4DRD5
SCHEMBL19995581 0.75 PDE4B (0.55) GAAPDE4BRAB9ANPC1SMN1; SMN2
SCHEMBL15829965 0.75 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16785623 0.75 DRD4 (0.53) DRD2DRD1DRD4DRD5DRD3

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 8 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
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 GAA 293/4885PDE4B 569/4885DRD2 28/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 GAA 324/4885PDE4B 523/4885DRD2 31/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 GAA 281/4885PDE4B 578/4885DRD2 32/4885

“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.