SCHEMBL2072250

SCHEMBL2072250

CCCC(CCC)n1ccc(=O)c2c(-c3ccc(C)cc3C)cccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
CRHR1 P34998 3/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
TSHR P16473 2/20 0.32
SLC2A1 P11166 1/20 0.32
MAPK10 P53779 1/20 0.31
MAPK1 P28482 2/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE4A P27815 1/20 0.30
PGR P06401 1/20 0.30
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 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 0.84 CRHR1 (0.35) ELANECRHR1GABRG2GABRB3GABRA2
SCHEMBL2072592 0.81 CRHR1 (0.33) ELANECRHR1GABRG2GABRB3GABRA2
SCHEMBL2070044 0.81 ELANE (0.33) ELANECRHR1GABRG2GABRB3GABRA2
SCHEMBL12775474 0.78 CRHR1 (0.32) CRHR1
SCHEMBL2070892 0.78 CRHR1 (0.33) ELANECRHR1HPGDPGR
SCHEMBL2069851 0.76 CRHR1 (0.34) ELANECRHR1GABRG2GABRB3GABRA2
SCHEMBL2071228 0.73 CMA1 (0.34) ELANECRHR1GABRG2GABRB3GABRA2
SCHEMBL2069870 0.71 CRHR1 (0.33) CRHR1TSHR
SCHEMBL2070317 0.70 CRHR1 (0.36) ELANECRHR1GABRG2GABRB3GABRA2
SCHEMBL2072012 0.69 SHMT2 (0.48) ELANECRHR1GABRG2GABRB3GABRA2

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
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
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US 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
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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 (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 ELANE 3884/4885CRHR1 1/4885GABRG2 795/4885

“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.