SCHEMBL6094556

SCHEMBL6094556

Cc1nc(NCCNC2CCCCC2)c2[nH]c(=O)n(-c3ccc(C(C)C)cc3Br)c2n1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.52

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
SCHEMBL6095129 0.84 CRHR1 (0.58) CRHR1
SCHEMBL6095699 0.74 CRHR1 (0.63) CRHR1
SCHEMBL8174266 0.63 CRHR1 (0.62) CRHR1
SCHEMBL7669960 0.62 CRHR1 (0.55) CRHR1
SCHEMBL7627436 0.62 CRHR1 (0.89) CRHR1
SCHEMBL7671881 0.62 CRHR1 (0.54) CRHR1
SCHEMBL7623363 0.62 CRHR1 (0.72) CRHR1
SCHEMBL6215611 0.62 CRHR1 (0.47) CRHR1
SCHEMBL7669665 0.61 CRHR1 (0.57) CRHR1
SCHEMBL7624832 0.61 CRHR1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074929-B2 Certain alkylene diamine-substituted heterocycles NEUROGEN CORP. (US) 2006-07-11 US disclosed
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2004-11-18 US disclosed
US-6696445-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS COMPRISING HETEROCYCLIC NITROGEN COMPOUNDS AND/OR PRODRUGS USED FOR PROPHYLAXIS OF EATING AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2004-02-24 US disclosed
US-20030158197-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2003-08-21 US disclosed
US-6506762-B1 Mono-, bi-, or tricyclic heterocycles may be modified to obtain potent antagonists at the NPY1 receptor. methods for the treatment of physiological disorders associated with an excess of neuropeptide Y. Novel compounds are for eating NEUROGEN CORPORATION 2003-01-14 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 (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-20030158197-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R CRHR1 16/4885
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R CRHR1 14/4885

“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.