SCHEMBL22200841

SCHEMBL22200841

CC(S)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
GPR183 P32249 1/20 0.36
ACACB O00763 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SCD5 Q86SK9 1/20 0.35
NR1H2 P55055 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL22200882 0.88 HPGD (0.39) HPGDGPR183ACACBHTTNPC1
SCHEMBL25304410 0.81 GPR119 (0.39) HPGDGPR183ACACBHTTNPC1
SCHEMBL25031307 0.81 HPGD (0.36) HPGDGPR183ACACBUSP2SMN1; SMN2
SCHEMBL3038442 0.80 HPGD (0.53) HPGDHTTNPC1ALDH1A1MAPT
SCHEMBL14662117 0.80 CHRM2 (0.46) HPGDGPR183ACACBUSP2SMN1; SMN2
SCHEMBL16573803 0.79 USP2 (0.48) HPGDGPR183ACACBUSP2SMN1; SMN2
SCHEMBL1394450 0.79 USP2 (0.52) HPGDGPR183ACACBUSP2SMN1; SMN2
SCHEMBL18655399 0.79 HPGD (0.41) HPGDGPR183ACACBMAPTUSP2
SCHEMBL31584009 0.79 HPGD (0.41) HPGDGPR183ACACBUSP2SMN1; SMN2
SCHEMBL20756859 0.79 EPHX2 (0.40) HPGDGPR183ACACBHTTNPC1

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-20200216456-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-07-09 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-20200216456-A1 TDO2 and IDO1 Inhibitors IDO1, IDO2, TDO2 HPGD 392/4885GPR183 2841/4885ACACB 1295/4885

“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.