SCHEMBL30022845

SCHEMBL30022845

NCC(CO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
GABBR2 O75899 6/20 0.40
GABBR1 Q9UBS5 6/20 0.40
LMNA P02545 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 2/20 0.40
THRB P10828 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11078316 0.88 IDO1 (0.47) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4675885 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL3912571 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL7742861 0.79 GABBR2 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL7633288 0.79 GABBR2 (0.68) CYP3A4CYP2D6GABBR2GABBR1LMNA
SCHEMBL9779274 0.78 GABBR2 (0.61) SLC6A4SLC6A3CYP3A4CYP2D6GABBR2
SCHEMBL7396004 0.78 GABBR2 (0.61) SLC6A4SLC6A3CYP3A4CYP2D6GABBR2
Hydrochloric Acid SCHEMBL560490 0.78 GABBR2 (0.66) CYP3A4CYP2D6GABBR2GABBR1LMNA
SCHEMBL31332655 0.77 PNMT (0.44) CYP3A4CYP2D6GABBR2GABBR1LMNA
SCHEMBL31332659 0.77 PNMT (0.44) CYP3A4CYP2D6GABBR2GABBR1LMNA

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-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. 2024-08-15 US disclosed
WO-2022251280-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. (US) 2022-12-01 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-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE JAK2, JAK1, JAK3 SLC6A2 4827/4885SLC6A4 4678/4885SLC6A3 4426/4885

“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.