SCHEMBL16625319

SCHEMBL16625319

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(B(O)O)cn3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
SCD5 Q86SK9 1/20 0.43
ACACB O00763 5/20 0.42
RORC P51449 1/20 0.41
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
SPR P35270 3/20 0.38
GPR183 P32249 1/20 0.38
NAMPT P43490 1/20 0.38
RET P07949 1/20 0.38
USP2 O75604 2/20 0.37

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
SCHEMBL20468854 0.84 RORC (0.48) CYP11B2SCD5ACACBRORCCYP3A4
SCHEMBL25175960 0.83 KDM4E (0.43)
SCHEMBL29497042 0.78 PPARG (0.49) CYP11B2ACACBRORCCYP3A4CYP1A2
SCHEMBL25301688 0.78 PPARG (0.49) CYP11B2ACACBRORCCYP3A4CYP1A2
SCHEMBL31565342 0.76 CYP3A4 (0.60) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1426231 0.76 CYP2D6 (0.64) SCD5CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL21276348 0.75 MGLL (0.53) RORCCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL31161390 0.74 ACACB (0.43) CYP11B2SCD5ACACBRORCHDAC2
SCHEMBL16625328 0.74 TNKS (0.49) CYP11B2SCD5ACACBSPR
SCHEMBL30620506 0.74 GPR183 (0.52) CYP11B2SCD5RORCCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 CYP11B2 1696/4885SCD5 1528/4885ACACB 1970/4885

“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.