SCHEMBL14779137

SCHEMBL14779137

COC[C@@H]1CCCN1Cc1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
CHRNB2 P17787 7/20 0.49
CHRNA4 P43681 5/20 0.49
PNP P00491 1/20 0.42
VEGFA P15692 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CRHR1 P34998 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB1 P11230 3/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNB3 Q05901 3/20 0.37
JAK2 O60674 1/20 0.37
FAAH O00519 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
SCHEMBL14779140 1.00 HDAC8 (0.51) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL14779601 0.83 CHRNB2 (0.44) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL14780344 0.82 CHRNB2 (0.42) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL14780346 0.82 CHRNB2 (0.42) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL1241999 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL1241170 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL1241175 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL27958431 0.78 KDM4E (0.56) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL27958432 0.78 KDM4E (0.56) HDAC8HDAC6HDAC1CHRNB2CHRNA4
SCHEMBL22105856 0.77 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1

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 25 patents — showing the first 20. 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-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 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
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO 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
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 US disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 US 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-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 HDAC8 4218/4885HDAC6 3812/4885HDAC1 1655/4885
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 HDAC8 4306/4885HDAC6 3854/4885HDAC1 1655/4885

“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.