SCHEMBL22494465

SCHEMBL22494465

COC(=O)C(CCCCOC1CCCCO1)c1ccc(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 8/20 0.36
P2RX3 P56373 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSH P09668 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSF Q9UBX1 1/20 0.33

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
SCHEMBL22494473 0.87 MEN1 (0.43) MEN1KMT2AP2RX3L3MBTL1CTSL
SCHEMBL21886902 0.78 SLC6A3 (0.53) MEN1KMT2ASLC6A3ADORA3
SCHEMBL21326182 0.76 CHRM2 (0.43) MEN1KMT2ASLC6A3
SCHEMBL9306096 0.75 MEN1 (0.47) MEN1KMT2ASLC6A3P2RX3NPC1
SCHEMBL23443634 0.74 CES2 (0.36) L3MBTL1CTSLCTSBCTSHCTSS
SCHEMBL25028162 0.74 CES2 (0.36) L3MBTL1CTSLCTSBCTSHCTSS
SCHEMBL22504270 0.74 CES2 (0.33) CTSK
SCHEMBL22494487 0.72 MEN1 (0.37) MEN1KMT2AP2RX3L3MBTL1NPC1
SCHEMBL22070786 0.70 KMT2A (0.45) MEN1KMT2ASLC6A3NPC1RAB9A
SCHEMBL22070848 0.70 MEN1 (0.52) MEN1KMT2ASLC6A3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315745-B Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-3728262-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-11440915-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-09-13 US disclosed
EP-3728262-A1 TRIAZOLO-AZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111315745-A Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2020-06-19 CN 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-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HUWE1, APP, PSEN1 MEN1 998/4885KMT2A 2045/4885SLC6A3 302/4885
US-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 MEN1 868/4885KMT2A 1856/4885SLC6A3 350/4885

“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.