SCHEMBL14780346

SCHEMBL14780346

FC(F)(F)COCC1CCCN1Cc1cncc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.42
CHRNA4 P43681 3/20 0.42
CASP1 P29466 3/20 0.38
CASP3 P42574 3/20 0.38
CASP7 P55210 3/20 0.38
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
CHRNB1 P11230 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNB3 Q05901 2/20 0.35
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CRHR1 P34998 1/20 0.34
FAAH O00519 2/20 0.33
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN1 Q05586 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
SCHEMBL14780344 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CASP1CASP3CASP7
SCHEMBL14779140 0.82 HDAC8 (0.51) CHRNB2CHRNA4HDAC8HDAC6HDAC1
SCHEMBL14779137 0.82 HDAC8 (0.51) CHRNB2CHRNA4HDAC8HDAC6HDAC1
SCHEMBL28114428 0.81 KDM4E (0.48) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL28114427 0.81 KDM4E (0.48) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL14779601 0.79 CHRNB2 (0.44) CHRNB2CHRNA4HDAC8HDAC6HDAC1
SCHEMBL14779737 0.77 FAAH (0.50) HDAC8HDAC6HDAC1SPHK2SPHK1
SCHEMBL14779735 0.77 FAAH (0.50) HDAC8HDAC6HDAC1SPHK2SPHK1
SCHEMBL22105856 0.73 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL14779981 0.73 CYP11B1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 US disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 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-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CHRNB2 1135/4885CHRNA4 2935/4885CASP1 3344/4885

“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.