SCHEMBL2071104

SCHEMBL2071104

CCCC(CCC)n1cc(C#N)c(=O)c2c(Cl)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 3/20 0.33
P2RX7 Q99572 2/20 0.33
MAPT P10636 1/20 0.33
CRHR1 P34998 4/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PGR P06401 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PIK3R2 O00459 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
PBRM1 Q86U86 1/20 0.30
PIK3CD O00329 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
SCHEMBL2070892 0.78 CRHR1 (0.33) KDM4EALDH1A1HPGDNPSR1CRHR1
SCHEMBL2069766 0.67 CRHR1 (0.36) MAPTCRHR1CYP2C19
SCHEMBL2072616 0.65 SLC6A2 (0.49)
SCHEMBL28017049 0.64 IMPDH2 (0.54) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL2069870 0.63 CRHR1 (0.33) CRHR1
SCHEMBL21316564 0.62 L3MBTL1 (0.36) KDM4EALDH1A1HPGDGAAPGR
SCHEMBL6849005 0.57 TSHR (0.44) CRHR1
SCHEMBL25483123 0.57 TAAR1 (0.39) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL16587420 0.56 DYRK1A (0.41) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL19592244 0.56 AR (0.35) KDM4EALDH1A1HPGDGAAPGR

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
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
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
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 KDM4E 3537/4885ALDH1A1 786/4885HPGD 1056/4885

“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.