SCHEMBL22387486

SCHEMBL22387486

COC(=O)CC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.68
BRD4 O60885 1/20 0.43
NAMPT P43490 1/20 0.41
JAK1 P23458 2/20 0.40
JAK2 O60674 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
EPHX2 P34913 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL22270687 1.00 NR1H2 (0.68) NR1H2BRD4NAMPTJAK1JAK2
SCHEMBL29030935 1.00 NR1H2 (0.68) NR1H2BRD4NAMPTJAK1JAK2
SCHEMBL7261502 0.88 NR1H2 (0.54) NR1H2BRD4NAMPTEPHX2USP2
SCHEMBL21557908 0.86 NR1H2 (0.65) NR1H2NAMPTJAK1JAK2USP2
SCHEMBL25920440 0.86 NR1H2 (0.65) NR1H2NAMPTJAK1JAK2USP2
SCHEMBL25383344 0.85 NR1H2 (0.72) NR1H2NAMPTJAK1JAK2EPHX2
SCHEMBL19097226 0.85 NR1H2 (0.72) NR1H2NAMPTJAK1JAK2EPHX2
SCHEMBL25383349 0.85 NR1H2 (0.72) NR1H2NAMPTJAK1JAK2EPHX2
SCHEMBL21828567 0.85 NR1H2 (0.72) NR1H2NAMPTJAK1JAK2EPHX2
SCHEMBL23406722 0.81 NR1H2 (1.00) NR1H2NAMPTJAK1JAK2EPHX2

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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 NR1H2 2049/4885BRD4 82/4885NAMPT 717/4885

“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.