SCHEMBL5162740

SCHEMBL5162740

O=c1[nH]nc(CN2CC3C[C@]3(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.58
TACR3 P29371 2/20 0.58
TACR2 P21452 1/20 0.58
NR3C1 P04150 1/20 0.41
CYP3A4 P08684 1/20 0.41
FPR1 P21462 1/20 0.41
GPR183 P32249 1/20 0.41
OPRD1 P41143 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL5164251 1.00 TACR1 (0.58) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL5161762 1.00 TACR1 (0.58) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL5162215 0.85 TACR1 (0.57) TACR1TACR3TACR2
SCHEMBL5269321 0.84 TACR1 (0.51) TACR1CYP3A4
SCHEMBL5159620 0.77 TACR1 (0.37) TACR1TACR3TACR2
SCHEMBL5162447 0.77 TACR1 (0.37) TACR1TACR3TACR2
SCHEMBL5161925 0.77 TACR1 (0.37) TACR1TACR3TACR2
SCHEMBL9277010 0.74 TACR1 (1.00) TACR1TACR3TACR2
SCHEMBL29373930 0.74 TACR1 (1.00) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL6228761 0.74 TACR1 (1.00) TACR1TACR3TACR2NR3C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US claimed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP claimed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO 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 1/4885TACR3 8/4885TACR2 2/4885

“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.