SCHEMBL2070698

SCHEMBL2070698

CCCCn1cc(C)c(=O)c2c(-c3c(C)cc(C)cc3C)cccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 7/20 0.38
CRHR1 P34998 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
TYR P14679 1/20 0.37
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
CA2 P00918 1/20 0.35
ICMT O60725 1/20 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
SCHEMBL2071240 0.81 C5AR1 (0.42) TP53
SCHEMBL2069870 0.77 CRHR1 (0.33) CRHR1
SCHEMBL2070604 0.71 TP53 (0.40) TP53
SCHEMBL2069170 0.69 CRHR1 (0.34) CRHR1
SCHEMBL2070072 0.69 ELANE (0.33) CRHR1GAA
SCHEMBL2069822 0.68 MEN1 (0.35) CRHR1
SCHEMBL12775420 0.67 CMA1 (0.35) CRHR1
SCHEMBL2069665 0.66 SMN1; SMN2 (0.45) KDM4ETP53
SCHEMBL12206640 0.65 CNR2 (0.54) KDM4ECNR2TP53GAAICMT
SCHEMBL2070219 0.64 CRHR1 (0.35) CRHR1GAA

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 KDM4E 3537/4885CNR2 28/4885CRHR1 1/4885

“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.