SCHEMBL5159352

SCHEMBL5159352

FC(F)(F)c1cc(COC[C@@]23CC2CN[C@H]3c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.49
SLC6A4 P31645 13/20 0.49

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
SCHEMBL5159633 1.00 TACR1 (0.49) TACR1SLC6A4
SCHEMBL5176908 0.81 TACR1 (0.49) TACR1
SCHEMBL5162217 0.81 TACR1 (0.49) TACR1
SCHEMBL5162654 0.81 TACR1 (0.49) TACR1
SCHEMBL5176936 0.77 TACR1 (0.42) TACR1
SCHEMBL5187519 0.76 TACR1 (0.47) TACR1SLC6A4
SCHEMBL5161635 0.76 TACR1 (0.47) TACR1SLC6A4
SCHEMBL5415011 0.72 TACR1 (0.54) TACR1SLC6A4
SCHEMBL5161212 0.72 TACR1 (0.54) TACR1SLC6A4
SCHEMBL5162215 0.69 TACR1 (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US claimed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 US claimed
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 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-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 TACR1 1/4885SLC6A4 309/4885

“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.