SCHEMBL19995575

SCHEMBL19995575

Fc1cc(F)c(F)c(C2CCNC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR3A P46098 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MPO P05164 1/20 0.39
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1A P08908 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
SCHEMBL28298510 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR3ACYP2D6
SCHEMBL28296852 0.90 HTR3A (0.38) SLC6A2SLC6A4SLC6A3HTR3ACYP2D6
SCHEMBL19996154 0.83 HTR3A (0.41) HTR3AMPOHTR2AHTR2C
SCHEMBL19995522 0.80 MPO (0.42) SLC6A2SLC6A4SLC6A3HTR3ACHRNB2
SCHEMBL19995524 0.80 MPO (0.42) SLC6A2SLC6A4SLC6A3HTR3ACHRNB2
SCHEMBL19995595 0.76 CHRNB2 (0.53) SLC6A2SLC6A4SLC6A3HTR3ACHRNB2
SCHEMBL19995607 0.76 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MPO
SCHEMBL20439008 0.74 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR2A
SCHEMBL28296879 0.73 HTR3A (0.38) HTR3AMPOHTR2C
SCHEMBL14938078 0.73 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4HTR2A

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 6 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-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

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 SLC6A2 3/4885SLC6A4 8/4885SLC6A3 2/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 SLC6A2 3/4885SLC6A4 10/4885SLC6A3 2/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 SLC6A2 3/4885SLC6A4 8/4885SLC6A3 2/4885

“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.