SCHEMBL2069766

SCHEMBL2069766

CCCC(CCC)n1cc(C)c(=O)c2c(-c3ccc(Cl)cc3Cl)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.36
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
CCNB2 O95067 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CDK1 P06493 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
NFKB1 P19838 1/20 0.34

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 0.83 CRHR1 (0.35) CRHR1MAPTMAPK1
SCHEMBL2072592 0.74 CRHR1 (0.33) CRHR1MAPK1
SCHEMBL12775474 0.72 CRHR1 (0.32) CRHR1
SCHEMBL2072250 0.68 ELANE (0.33) CRHR1MAPTMAPK1
SCHEMBL2071104 0.67 KDM4E (0.34) CRHR1MAPTCYP2C19
SCHEMBL4658099 0.66 CRHR1 (0.45) CRHR1HSD11B1
SCHEMBL2069851 0.65 CRHR1 (0.34) CRHR1MAPK1
SCHEMBL2070620 0.63 ALDH1A1 (0.32) CRHR1GSK3BLMNAMAPTSMN1; SMN2
SCHEMBL11549938 0.63 HSD11B1 (0.38) CRHR1GSK3AGSK3BMEN1RGS12
SCHEMBL2071228 0.62 CMA1 (0.34) CRHR1

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 7 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
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 CRHR1 1/4885GSK3A 2797/4885GSK3B 3196/4885

“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.