SCHEMBL5203919

SCHEMBL5203919

CCCC(CCC)Nc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)ncc([N+](=O)[O-])c12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.51
CNR1 P21554 1/20 0.40

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
SCHEMBL6701255 0.84 CRHR1 (0.55) CRHR1CNR1
SCHEMBL5209552 0.81 HSD11B1 (0.46) CRHR1
SCHEMBL5208904 0.81 L3MBTL1 (0.40) CRHR1
SCHEMBL7479132 0.67 CRHR1 (0.36) CRHR1
SCHEMBL5210158 0.63 CRHR1 (0.39) CRHR1
SCHEMBL5205630 0.63 MAPT (0.37) CRHR1
SCHEMBL5419528 0.62 CRHR1 (0.80) CRHR1
SCHEMBL5420523 0.61 CRHR1 (0.78) CRHR1
SCHEMBL6082337 0.61 CRHR1 (0.39) CRHR1
SCHEMBL5094069 0.60 MAPK1 (0.57)

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
EP-1341793-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2007-01-17 EP disclosed
US-20040266799-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 US disclosed
US-6747034-B2 CORTICOTROPIN-RELEASING FACTOR (CRF); SUCH AS 4-CHLORO-2-METHYL-5-NITRO-8-(2,4-DICHLORO)PHENYL-1,7-NAPHTHYRIDINE FOR TREATING STROKE, ANXIETY, DEPRESSION, AND/OR IRRITABLE BOWEL SYNDROME NEUROCRINE BIOSCIENCES, INC. 2004-06-08 US disclosed
EP-1341793-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2003-09-10 EP disclosed
US-20020151557-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC 2002-10-17 US disclosed
WO-2002040480-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2002-05-23 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-20040266799-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 CRHR1 1/4885CNR1 25/4885
US-20020151557-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 CRHR1 1/4885CNR1 25/4885

“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.