SCHEMBL5398236

SCHEMBL5398236

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1CN(C(=O)OC(C)(C)C)CCN1c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.57
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43

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
SCHEMBL5390778 0.90 TACR1 (0.62) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5400644 0.89 TACR1 (0.56) TACR1CYP3A4CYP2D6CYP2C9SGMS1
SCHEMBL5394686 0.89 TACR1 (0.44) TACR1
SCHEMBL6261488 0.88 TACR1 (0.61) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5398565 0.82 TACR1 (0.52) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5389958 0.82 TACR1 (0.52) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5386422 0.79 TACR1 (0.49) TACR1
SCHEMBL5398539 0.79 TACR1 (0.49) TACR1
SCHEMBL5390865 0.78 TACR1 (0.50) TACR1
SCHEMBL6264741 0.78 TACR1 (0.67) TACR1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 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-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D TACR1 49/4885CYP3A4 996/4885CYP2D6 691/4885

“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.