SCHEMBL5215583

SCHEMBL5215583

Oc1ccc(CC2CCNCC2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
SLC6A4 P31645 4/20 0.47
QDPR P09417 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
P2RX7 Q99572 1/20 0.39
DBH P09172 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
CACNA1H O95180 1/20 0.37
ACHE P22303 1/20 0.36
GRIN2B Q13224 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
Sulfuric Acid SCHEMBL5215916 0.93 GBA1 (0.44) GBA1SLC6A4QDPRPRMT5WDR77
Sulfuric Acid SCHEMBL5215926 0.89 GBA1 (0.41) GBA1SLC6A4PRMT5WDR77P2RX7
SCHEMBL717183 0.85 GBA1 (0.55) GBA1SLC6A4PRMT5WDR77P2RX7
SCHEMBL12776090 0.85 GBA1 (0.55) GBA1SLC6A4QDPRCYP19A1
Hydrochloric Acid SCHEMBL7405591 0.83 GBA1 (0.53) GBA1SLC6A4PRMT5WDR77P2RX7
SCHEMBL1874417 0.81 GBA1 (0.50) GBA1SLC6A4PRMT5WDR77P2RX7
SCHEMBL14747890 0.81 GBA1 (0.50) GBA1SLC6A4PRMT5WDR77P2RX7
SCHEMBL16365283 0.81 GBA1 (0.50) GBA1SLC6A4PRMT5WDR77P2RX7
Hydrochloric Acid SCHEMBL19639936 0.79 GBA1 (0.49) GBA1SLC6A4PRMT5WDR77P2RX7
SCHEMBL22265652 0.78 GBA1 (0.53) GBA1SLC6A4PRMT5WDR77CACNA1H

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
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
CN-1478092-A Benzoxazinone derivatives, their preparation and use ʷ 2004-02-25 CN disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 GBA1 437/4885SLC6A4 1029/4885QDPR 3288/4885

“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.