SCHEMBL6480884

SCHEMBL6480884

OCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL6488611 0.89 TACR1 (0.80) TACR1
SCHEMBL6479119 0.87 TACR1 (0.94) TACR1
SCHEMBL6492431 0.87 TACR1 (0.77) TACR1
SCHEMBL6478537 0.86 TACR1 (1.00) TACR1
SCHEMBL6491383 0.86 TACR1 (0.83) TACR1
SCHEMBL6479339 0.86 TACR1 (1.00) TACR1
SCHEMBL6478415 0.86 TACR1 (1.00) TACR1
SCHEMBL6480085 0.85 TACR1 (0.98) TACR1
SCHEMBL6478355 0.85 TACR1 (0.75) TACR1
SCHEMBL6479346 0.85 TACR1 (0.79) 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-6916797-B2 α-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2005-07-12 US disclosed
US-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2003-11-27 US disclosed
EP-1110958-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2001-06-27 EP 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-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists TACR1, TACR2, NPSR1 TACR1 1/4885

“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.