SCHEMBL19995589

SCHEMBL19995589

NC(=S)N1CCC(c2cc(F)ccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
KDM1A O60341 2/20 0.41
KDM1B Q8NB78 1/20 0.41
HSD11B1 P28845 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.37
NTRK1 P04629 2/20 0.36
JAK2 O60674 1/20 0.36
DPP4 P27487 5/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP9 Q86TI2 4/20 0.35
DPP8 Q6V1X1 3/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL19995646 1.00 PDE4B (0.43) PDE4BKDM1AKDM1BHSD11B1NPC1
SCHEMBL19995547 0.89 PDE4B (0.43) PDE4BHSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL19995548 0.84 PDE4B (0.42) PDE4BHSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL19996132 0.84 PDE4B (0.42) PDE4BHSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL19995520 0.83 PDE4B (0.43) PDE4BHSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL19995933 0.83 PDE4B (0.43) PDE4BHSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL19996127 0.82 RAB9A (0.48) PDE4BNPC1RAB9ASMN1; SMN2ATM
SCHEMBL19995996 0.81 PDE4B (0.41) PDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL19996004 0.79 RAB9A (0.54) PDE4BNPC1RAB9ASMN1; SMN2ATM
SCHEMBL19995606 0.79 RAB9A (0.54) PDE4BNPC1RAB9ASMN1; SMN2ATM

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 PDE4B 569/4885KDM1A 1634/4885KDM1B 1930/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 PDE4B 523/4885KDM1A 1768/4885KDM1B 1926/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 PDE4B 578/4885KDM1A 1725/4885KDM1B 2035/4885

“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.