SCHEMBL18355877

SCHEMBL18355877

Cn1cncc1-c1ccccc1OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.55
HPGDS O60760 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.40
LDLR P01130 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
BDKRB2 P30411 1/20 0.39
HTR6 P50406 6/20 0.39
HTR1A P08908 5/20 0.39
HTR7 P34969 5/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2A P28223 2/20 0.37
HSD11B1 P28845 1/20 0.37
DRD2 P14416 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
SCHEMBL18361608 0.82 IDO1 (0.60) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL21566711 0.76 IDO1 (0.60) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL10192319 0.74 IDO1 (0.54) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL12355661 0.73 CA12 (0.39) HTR6HTR1AHTR7HTR2CHTR2A
SCHEMBL20646497 0.73 IDO1 (0.66) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL31326499 0.71 IDO1 (1.00) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL3710027 0.69 HTR2C (0.61) IDO1HPGDSLDLRPCSK9BDKRB2
SCHEMBL15577030 0.69 IDO1 (0.60) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL19732321 0.67 IDO1 (0.57) IDO1HPGDSLDLRPCSK9BDKRB2
SCHEMBL21128564 0.67 IDO1 (0.57) IDO1HPGDSLDLRPCSK9HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 IDO1 783/4885HPGDS 3691/4885GPBAR1 374/4885

“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.