SCHEMBL19995595

SCHEMBL19995595

Fc1cc(F)c(C2CCNC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR3A P46098 1/20 0.40
MPO P05164 1/20 0.39

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
SCHEMBL28296873 0.90 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
SCHEMBL1822160 0.79 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
SCHEMBL27913713 0.79 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
SCHEMBL20438926 0.79 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
SCHEMBL19995723 0.79 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
SCHEMBL29904548 0.79 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
Hydrochloric Acid SCHEMBL29051178 0.78 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
SCHEMBL1825481 0.77 HTR3A (0.54) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL29904538 0.77 HTR3A (0.54) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL4695726 0.77 CHRNB2 (0.49) 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 CHRNB2 257/4885CHRNB4 253/4885CHRNA3 382/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 CHRNB2 257/4885CHRNB4 279/4885CHRNA3 442/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 CHRNB2 253/4885CHRNB4 263/4885CHRNA3 380/4885

“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.