SCHEMBL6100129

SCHEMBL6100129

COCC1COCCN1CCON=C(C)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.81

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
SCHEMBL6099130 0.92 TACR1 (0.79) TACR1
SCHEMBL6100555 0.92 TACR1 (0.79) TACR1
SCHEMBL6098193 0.90 TACR1 (1.00) TACR1
SCHEMBL6098196 0.90 TACR1 (1.00) TACR1
Hydrochloric Acid SCHEMBL6133200 0.89 TACR1 (0.66) TACR1
Hydrochloric Acid SCHEMBL6133117 0.89 TACR1 (0.66) TACR1
SCHEMBL6877383 0.87 TACR1 (1.00) TACR1
SCHEMBL6877389 0.87 TACR1 (1.00) TACR1
SCHEMBL6101280 0.86 TACR1 (0.82) TACR1
SCHEMBL6098093 0.86 TACR1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094779-B2 Piperazine oxime dervatives having NK-1 receptor antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-22 US disclosed
EP-1406894-B1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2004-12-22 EP disclosed
US-20040176389-A1 Piperazine oxime dervatives having nk-1 receptor antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-09-09 US disclosed
EP-1406894-A1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-04-14 EP disclosed
WO-2003006459-A1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-01-23 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 (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-20040176389-A1 Piperazine oxime dervatives having nk-1 receptor antagonistic activity TACR2, OPRK1, TACR1 TACR1 3/4885

“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.