SCHEMBL2069822

SCHEMBL2069822

CCC(CC)n1c2cccc(-c3c(C)cc(C)cc3C)c2c(=O)n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CMA1 P23946 4/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
USP2 O75604 2/20 0.35
HTT P42858 2/20 0.35
RECQL P46063 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAP3K5 Q99683 2/20 0.35
MAPT P10636 2/20 0.35
HTR1D P28221 1/20 0.35
OPRK1 P41145 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
CASP7 P55210 1/20 0.35
YWHAG P61981 1/20 0.35
HBB P68871 1/20 0.35
CRHR1 P34998 4/20 0.35

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
SCHEMBL2070317 0.86 CRHR1 (0.36) MEN1KMT2ACMA1LMNANPSR1
SCHEMBL2072373 0.74 MAPK10 (0.38) MEN1KMT2ACMA1L3MBTL1HTT
SCHEMBL2069962 0.70 C5AR1 (0.36) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL2069870 0.69 CRHR1 (0.33) CRHR1
SCHEMBL2069170 0.68 CRHR1 (0.34) CMA1CRHR1
SCHEMBL2070698 0.68 KDM4E (0.40) CRHR1
SCHEMBL12775420 0.66 CMA1 (0.35) CMA1CRHR1
SCHEMBL7590367 0.66 CRHR1 (0.41) CRHR1
SCHEMBL2069665 0.62 SMN1; SMN2 (0.45) MEN1KMT2ALMNANPSR1HTT
SCHEMBL2071240 0.62 C5AR1 (0.42) MEN1KMT2ALMNASMN1; SMN2MAPK1

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 10 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 claimed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US claimed
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 MEN1 860/4885KMT2A 983/4885CMA1 1157/4885

“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.