SCHEMBL6849005

SCHEMBL6849005

CCCC(CCC)n1ccc(=O)c2c(Cl)cc(C)nc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CRHR1 P34998 14/20 0.41
SLC2A1 P11166 1/20 0.36

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
SCHEMBL6852054 0.82 TSHR (0.39) TSHRCRHR1SLC2A1
SCHEMBL5054212 0.77 TSHR (0.41) TSHRCRHR1
SCHEMBL2072250 0.66 ELANE (0.33) TSHRCRHR1SLC2A1
SCHEMBL5567895 0.63 CRHR1 (0.38) TSHRCRHR1SLC2A1
SCHEMBL5061545 0.62 CRHR1 (0.37) TSHRCRHR1
SCHEMBL704340 0.62 SLC6A2 (0.59) SLC2A1
SCHEMBL29412428 0.62 SLC6A2 (0.59) SLC2A1
SCHEMBL31555764 0.61 KDM4E (0.33)
SCHEMBL7029606 0.61 TSHR (0.33) TSHRCRHR1
SCHEMBL5054139 0.61 CRHR1 (0.38) TSHRCRHR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157851-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-12 US disclosed
US-20040087589-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-05-06 US disclosed
US-6531475-B1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-03-11 US disclosed
WO-2001087885-A1 CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2001-11-22 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 (2 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-20040157851-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R TSHR 180/4885CRHR1 1/4885SLC2A1 609/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R TSHR 180/4885CRHR1 1/4885SLC2A1 609/4885

“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.