SCHEMBL20469060

SCHEMBL20469060

Cc1cc(C)c(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)C2)nn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.50
▸ CYP11B2 P19099 1/20 0.48
▸ SCD5 Q86SK9 1/20 0.47
▸ GPR183 P32249 1/20 0.41
▸ RET P07949 1/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ PARP1 P09874 2/20 0.40
▸ TNKS O95271 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ SPR P35270 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RORC P51449 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
SCHEMBL30329362 0.94 ACACB (0.48) ACACBCYP11B2SCD5GPR183RET
SCHEMBL20468950 0.83 ACACB (0.52) ACACBCYP11B2SCD5RETHDAC2
SCHEMBL30327926 0.82 ACACB (0.46) ACACBCYP11B2SCD5RETHDAC2
SCHEMBL20469135 0.81 CYP11B2 (0.53) ACACBCYP11B2SCD5GPR183RET
SCHEMBL21711129 0.81 CYP11B2 (0.53) ACACBCYP11B2SCD5GPR183RET
SCHEMBL20468948 0.80 CYP11B2 (0.53) ACACBCYP11B2SCD5RETHDAC2
SCHEMBL20468943 0.79 CYP11B2 (0.53) ACACBCYP11B2SCD5GPR183RET
SCHEMBL20469058 0.79 CYP11B2 (0.53) ACACBCYP11B2SCD5GPR183RET
SCHEMBL20469072 0.78 CYP11B2 (0.59) ACACBCYP11B2SCD5GPR183RET
SCHEMBL20468957 0.78 ACACB (0.52) ACACBCYP11B2SCD5RETSPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 — — US disclosed
WO-2018141984-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 — — 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-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ACACB 639/4885CYP11B2 4635/4885SCD5 1478/4885

“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.

Send feedback