SCHEMBL3207858

SCHEMBL3207858

CCOC(=O)Cn1c(=O)n(C(=O)O)c2cccc(C(CC)CC)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 5/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 4/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL3203044 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL3202830 0.77 MEN1 (0.53) KDM4EMEN1KMT2AL3MBTL1GAA
SCHEMBL2087105 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL3726869 0.75 TNF (0.46) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL7224645 0.68 ALDH1A1 (0.88) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL25230511 0.67 ALDH1A1 (0.68) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL2087037 0.66 DAO (0.48) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL17772674 0.66 ALDH1A1 (0.82) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL7734714 0.65 ALDH1A1 (0.81) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL15469074 0.65 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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 (3 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 ALDH1A1 1562/4885KDM4E 2626/4885RAB9A 3203/4885
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 ALDH1A1 2741/4885KDM4E 2435/4885RAB9A 1668/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885KDM4E 3544/4885RAB9A 2170/4885

“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.