SCHEMBL4638586

SCHEMBL4638586

O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl)c1[nH]ncc1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.42
EPAS1 Q99814 1/20 0.39
GPBAR1 Q8TDU6 14/20 0.39
GRM2 Q14416 1/20 0.37
TACR3 P29371 2/20 0.35

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
SCHEMBL4637956 0.89 ALDH1A1 (0.46) TACR1EPAS1GPBAR1GRM2
SCHEMBL4638855 0.87 EPAS1 (0.50) TACR1EPAS1GPBAR1GRM2
SCHEMBL14144832 0.84 TACR1 (0.37) TACR1EPAS1GPBAR1TACR3
SCHEMBL4639409 0.84 TACR1 (0.39) TACR1EPAS1GPBAR1GRM2
SCHEMBL14587205 0.83 TGM2 (0.44) TACR1EPAS1GPBAR1
SCHEMBL4638510 0.78 USP2 (0.40) TACR1EPAS1GPBAR1GRM2
SCHEMBL5797524 0.77 ALDH1A1 (0.50) TACR1GPBAR1GRM2
SCHEMBL4707134 0.77 EPAS1 (0.40) TACR1EPAS1GPBAR1GRM2
SCHEMBL4705059 0.77 TACR1 (0.36) TACR1EPAS1GPBAR1GRM2
SCHEMBL4707969 0.77 CDC7 (0.42) TACR1GRM2

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 TACR1 2/4885EPAS1 2885/4885GPBAR1 101/4885

“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.