SCHEMBL2070892

SCHEMBL2070892

CCCC(CCC)n1cc(C#N)c(=O)c2c(-c3ccc(C)cc3C)cccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.33
NR3C1 P04150 2/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 2/20 0.32
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ELANE P08246 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2070219 0.87 CRHR1 (0.35) CRHR1ELANEHPGD
SCHEMBL2072592 0.84 CRHR1 (0.33) CRHR1ELANE
SCHEMBL12775474 0.82 CRHR1 (0.32) CRHR1
SCHEMBL2072250 0.78 ELANE (0.33) CRHR1PGRELANEHPGD
SCHEMBL2071104 0.78 KDM4E (0.34) CRHR1PGRALDH1A1TDP1KDM4E
SCHEMBL2069851 0.75 CRHR1 (0.34) CRHR1ELANE
SCHEMBL2069870 0.75 CRHR1 (0.33) CRHR1
SCHEMBL2071228 0.73 CMA1 (0.34) CRHR1ELANE
SCHEMBL2069766 0.72 CRHR1 (0.36) CRHR1POLBKMT2A
SCHEMBL2070044 0.71 ELANE (0.33) CRHR1KMT2AELANEKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R CRHR1 1/4885NR3C1 76/4885PGR 313/4885

“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.