SCHEMBL14992018

SCHEMBL14992018

CC1Cc2cc(Cl)ccc2C(=O)N1c1cncnc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.76
CYP11B1 P15538 14/20 0.47
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SRD5A1 P18405 1/20 0.41
ROCK1 Q13464 1/20 0.39
METAP1 P53582 1/20 0.38

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
SCHEMBL14991999 0.86 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL14992141 0.86 CYP11B2 (0.71) CYP11B2CYP11B1HTR2AHTR2CHTR2B
SCHEMBL14992240 0.86 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL14991998 0.86 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL14991451 0.84 CYP11B2 (0.69) CYP11B2CYP11B1
SCHEMBL14992443 0.83 CYP11B2 (0.66) CYP11B2CYP11B1
SCHEMBL14991818 0.74 CYP11B2 (0.56) CYP11B2CYP11B1
SCHEMBL14992289 0.72 CYP11B2 (0.74) CYP11B2CYP11B1
SCHEMBL14995820 0.69 CYP11B2 (0.50) CYP11B2CYP11B1
SCHEMBL29404958 0.65 METAP1 (0.56) CYP11B2HTR2AHTR2CHTR2BSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP claimed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US claimed
EP-2785695-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP claimed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO claimed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US claimed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
EP-2785695-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP 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
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

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-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CYP11B2 2/4885CYP11B1 1/4885HTR2A 2003/4885

“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.