SCHEMBL6850838

SCHEMBL6850838

C=CCN(c1nc(C)nc2c1c(Br)cn2-c1ccc(Cl)cc1Cl)C(CCC)CCC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.43
GABRA2 P47869 7/20 0.35
GABRB2 P47870 7/20 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
SCHEMBL6850975 0.75 CRHR1 (0.48) CRHR1GABRA2GABRB2
SCHEMBL6850979 0.69 CRHR1 (0.50) CRHR1GABRA2GABRB2
SCHEMBL6850852 0.58 GABRA2 (0.39) CRHR1GABRA2GABRB2
SCHEMBL4191079 0.55 MEN1 (0.35)
SCHEMBL27564981 0.55 GABRA2 (0.48) CRHR1GABRA2GABRB2
SCHEMBL7222445 0.55 GABRG2 (0.34) CRHR1GABRA2GABRB2
SCHEMBL7222451 0.55 GABRG2 (0.34) CRHR1GABRA2GABRB2
SCHEMBL7222448 0.55 GABRG2 (0.34) CRHR1GABRA2GABRB2
SCHEMBL15049985 0.54 GABRA2 (0.43) GABRA2GABRB2
SCHEMBL5600850 0.54 CDK4 (0.51) 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 6 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
US-6514982-B1 Corticotropin releasing factor is believed to be the major physiological regulator of the basal and stress-release of adrenocorticotropic hormone, beta -endorphin, and other pro-opiomelanocortin-derived peptides from the pituitary NEUROCRINE BIOSCIENCES, INC. 2003-02-04 US disclosed
EP-1129091-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2002-10-02 EP 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 CRHR1 1/4885GABRA2 147/4885GABRB2 171/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R CRHR1 1/4885GABRA2 147/4885GABRB2 171/4885

“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.