SCHEMBL22016779

SCHEMBL22016779

Cc1cc(C)n(C)c(=O)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.37
ADORA3 P0DMS8 1/20 0.37
NOX4 Q9NPH5 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM5B Q9UGL1 1/20 0.34
CRHR1 P34998 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
KDM5A P29375 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL24759396 0.82 LMNA (0.40) KDM4ELMNAADORA3NOX4ALDH1A1
SCHEMBL20280294 0.82 CRHR1 (0.38) KDM4EL3MBTL1LMNAADORA3NOX4
SCHEMBL24312168 0.81 CRHR1 (0.38) KDM4EL3MBTL1LMNAALDH1A1CRHR1
SCHEMBL21921254 0.80 ATAD2 (0.36) KDM4EL3MBTL1LMNAADORA3NOX4
SCHEMBL22016469 0.77 PDE3B (0.45) L3MBTL1ALDH1A1CRHR1KMT2APDE3B
SCHEMBL25606083 0.77 LMNA (0.33) LMNAADORA3
SCHEMBL14803746 0.76 ITGB1 (0.36) KDM4ELMNAADORA3ALDH1A1KDM5B
SCHEMBL24390530 0.76 PDE3B (0.33) KDM4EALDH1A1USP2PDE3BPDE3A
SCHEMBL22016206 0.73 BRPF1 (0.34) L3MBTL1LMNAADORA3ALDH1A1KDM5B
SCHEMBL4393645 0.73 KDM4E (0.44) KDM4EL3MBTL1LMNANOX4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322731-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2023-10-12 US disclosed
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2023-08-01 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (9 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-20230322731-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CD274, PDCD1LG2, PDCD1 KDM4E 738/4885L3MBTL1 103/4885LMNA 1671/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885L3MBTL1 4194/4885LMNA 2479/4885
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 KDM4E 738/4885L3MBTL1 103/4885LMNA 1671/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885L3MBTL1 4321/4885LMNA 3437/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885L3MBTL1 4194/4885LMNA 2479/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885L3MBTL1 4194/4885LMNA 2479/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR KDM4E 2655/4885L3MBTL1 4878/4885LMNA 3638/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885L3MBTL1 4194/4885LMNA 2479/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR KDM4E 2655/4885L3MBTL1 4878/4885LMNA 3638/4885

“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.