SCHEMBL2072335

SCHEMBL2072335

CCC(CC)Nc1nc2c(c(-c3c(C)cc(C)cc3C)nn2C)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.40
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL2070359 0.84 CRHR1 (0.38) CRHR1
SCHEMBL2070099 0.81 CRHR1 (0.62) CRHR1ALDH1A1MAPK1GFER
SCHEMBL2070850 0.78 CRHR1 (0.38) CRHR1
SCHEMBL2072390 0.75 CRHR1 (0.59) CRHR1ALDH1A1MAPK1GFER
SCHEMBL2069671 0.74 CRHR1 (0.69) CRHR1
SCHEMBL2070778 0.74 PDE5A (0.39) CRHR1
SCHEMBL2071132 0.72 CRHR1 (0.61) CRHR1ALDH1A1MAPK1GFER
SCHEMBL2070259 0.71 CRHR1 (0.39) CRHR1
SCHEMBL2071885 0.70 CRHR1 (0.52) CRHR1
SCHEMBL2073108 0.68 CRHR1 (0.63) CRHR1ALDH1A1MAPK1GFER

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 1/4885ALDH1A1 786/4885MAPK1 847/4885

“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.