SCHEMBL22387488

SCHEMBL22387488

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
PDE4B Q07343 1/20 0.39
NAMPT P43490 1/20 0.39
LIPE Q05469 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK1 P23458 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PTPN2 P17706 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
SCHEMBL22270691 1.00 NR1H2 (0.49) NR1H2PDE4BNAMPTLIPEHDAC1
SCHEMBL29031033 1.00 NR1H2 (0.49) NR1H2PDE4BNAMPTLIPEHDAC1
SCHEMBL25920437 0.85 NR1H2 (0.49) NR1H2NAMPTLIPEALDH1A1GPR119
SCHEMBL21551087 0.85 NR1H2 (0.49) NR1H2NAMPTLIPEALDH1A1GPR119
SCHEMBL29455155 0.82 NR1H2 (0.51) NR1H2PDE4BNAMPTLIPEHDAC1
SCHEMBL21835436 0.82 NR1H2 (0.51) NR1H2PDE4BNAMPTLIPEHDAC1
SCHEMBL428501 0.81 HDAC1 (0.44) NR1H2NAMPTHDAC1ALDH1A1USP2
SCHEMBL22730930 0.81 NR1H2 (0.54) NR1H2NAMPTLIPEHDAC1HDAC2
SCHEMBL31395566 0.80 NR1H2 (0.53) NR1H2NAMPTLIPEHDAC1HDAC2
SCHEMBL31708302 0.80 NR1H2 (0.53) NR1H2NAMPTLIPEHDAC1HDAC2

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 2049/4885PDE4B 3188/4885NAMPT 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.