SCHEMBL4559014

SCHEMBL4559014

Cc1cc(F)ccc1C1CN(C(=O)OCc2ccccc2)CCN1C(=O)N(C)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.49
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4559013 1.00 TACR1 (0.49) TACR1CYP3A4CYP2D6SIGMAR1
SCHEMBL4023028 0.89 TACR1 (0.63) TACR1CYP3A4CYP2D6
SCHEMBL4023770 0.88 TACR1 (0.61) TACR1CYP3A4SIGMAR1
SCHEMBL4021339 0.85 PDK1 (0.42) TACR1
SCHEMBL4473990 0.84 TACR1 (0.45) TACR1
SCHEMBL13949034 0.82 TACR1 (0.63) TACR1CYP3A4CYP2D6
SCHEMBL4030300 0.82 TACR1 (0.53) TACR1
SCHEMBL4030829 0.81 PDK1 (0.43) SIGMAR1
SCHEMBL4703855 0.75 TACR1 (0.63) TACR1CYP3A4SIGMAR1
SCHEMBL4030849 0.75 TACR1 (0.47) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-20080249108-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 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-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 TACR1 159/4885CYP3A4 46/4885CYP2D6 18/4885

“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.