SCHEMBL21136404

SCHEMBL21136404

NC(=O)CC(=O)C1NC[C@@]2(c3cc(F)cc(F)c3)C[C@@H]12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.32
ADAM10 O14672 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30

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
Hydrochloric Acid SCHEMBL23454946 0.99 MCHR1 (0.31) MCHR1
SCHEMBL23220362 0.80 CHRNA1 (0.37) ADAM10MMP2MMP9
SCHEMBL20005948 0.71 CHRNA1 (0.35)
SCHEMBL23487032 0.68
SCHEMBL20006164 0.68 CHRNA1 (0.33)
SCHEMBL20005801 0.68 CHRNA1 (0.33)
Hydrochloric Acid SCHEMBL21527799 0.67 CHRNA1 (0.32)
Hydrochloric Acid SCHEMBL19995573 0.67 CHRNA1 (0.32)
SCHEMBL23487037 0.67 PSEN1 (0.37)
SCHEMBL23487363 0.67 PSEN1 (0.37)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US disclosed
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US disclosed
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 US disclosed
WO-2019112457-A1 DOPAMINE-Β-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-06-13 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 (2 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-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT MCHR1 31/4885ADAM10 3301/4885MMP2 710/4885
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT MCHR1 42/4885ADAM10 3019/4885MMP2 671/4885

“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.