SCHEMBL3207595

SCHEMBL3207595

CCC(CC)c1cccc2[nH]c(=O)n(CC(=O)O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DAO P14920 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
APEX1 P27695 1/20 0.36
B3GNT2 Q9NY97 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL3746600 0.79 CYP1A2 (0.39) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL3202684 0.78 MPO (0.44) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL2084761 0.77 ADORA3 (0.42) CYP1A2MEN1KMT2ADAOPOLB
SCHEMBL3220263 0.77 GRIN2D (0.35) CYP1A2MEN1KMT2AAPEX1SMN1; SMN2
SCHEMBL2085200 0.76 POLB (0.37) CYP1A2MEN1KMT2ADAOB3GNT2
SCHEMBL3733140 0.75 DAO (0.38) CYP1A2MEN1KMT2ADAOSMN1; SMN2
SCHEMBL8471506 0.74 CYP1A2 (0.43) KDM4EALDH1A1HPGDCYP1A2MEN1
SCHEMBL3210120 0.74 KDM4E (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4314490 0.72 GRIK1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL8471574 0.72 CYP1A2 (0.41) CYP1A2MEN1KMT2ADAOSMN1; SMN2

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 7 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-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 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 (4 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 KDM4E 1168/4885ALDH1A1 2007/4885HPGD 2000/4885
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 KDM4E 2626/4885ALDH1A1 1562/4885HPGD 1547/4885
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 KDM4E 2435/4885ALDH1A1 2741/4885HPGD 1087/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 KDM4E 3544/4885ALDH1A1 4352/4885HPGD 1361/4885

“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.