SCHEMBL20005706

SCHEMBL20005706

CC(C)CNC(=S)N1CCC(c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL23220399 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL20005705 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL23220400 0.83 RAB9A (0.59) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL23951675 0.81 KMT2A (0.67) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL23220397 0.81 NPC1 (0.57) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL19995523 0.80 RAB9A (0.63) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL19995974 0.80 RAB9A (0.63) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL4029855 0.78 PRMT5 (0.58) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL20005708 0.76 RAB9A (0.65) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL20005704 0.75 RAB9A (0.64) RAB9ANPC1SMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US 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 (1 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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 RAB9A 967/4885NPC1 271/4885SMN1; SMN2 1745/4885

“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.