SCHEMBL3668564

SCHEMBL3668564

CCOC(=O)CCNc1c(N)cccc1N

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.58
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
NLRP3 Q96P20 4/20 0.43
CHEK1 O14757 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
LTA4H P09960 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL2313196 0.93 TOP2A (0.54) TOP2AALDH1A1HSD17B10NLRP3CHEK1
SCHEMBL3668324 0.91 TOP2A (0.60) TOP2AALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL2311193 0.90 TOP2A (0.52) TOP2AALDH1A1HSD17B10NLRP3CHEK1
SCHEMBL12431692 0.90 TOP2A (0.52) TOP2AALDH1A1HSD17B10NLRP3CHEK1
SCHEMBL9830020 0.84 TOP2A (0.61) TOP2AALDH1A1HSD17B10NLRP3CYP4F2
SCHEMBL28450779 0.83 TOP2A (0.53) TOP2AALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL11138734 0.83 TOP2A (0.59) TOP2AALDH1A1NLRP3CYP4F2CYP4A11
SCHEMBL7537296 0.82 TOP2A (0.63) TOP2AALDH1A1CYP4F2CYP4A11
SCHEMBL9850800 0.79 TOP2A (0.49) TOP2AALDH1A1HSD17B10PLAU
SCHEMBL17145910 0.78 TOP2A (0.54) TOP2AALDH1A1HSD17B10NLRP3CYP4F2

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
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO 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 (2 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 TOP2A 3332/4885ALDH1A1 2741/4885HSD17B10 1553/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 TOP2A 4419/4885ALDH1A1 4352/4885HSD17B10 1663/4885

“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.