SCHEMBL4706505

SCHEMBL4706505

CC(C)(O)c1onc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2ccncc2)c1C(=O)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORB Q92753 8/20 0.35
RORC P51449 4/20 0.35
MAPK1 P28482 1/20 0.34
PTGER4 P35408 2/20 0.34
TACR1 P25103 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CDC7 O00311 1/20 0.32
GRM2 Q14416 1/20 0.32
IDH1 O75874 1/20 0.32
AKR1C3 P42330 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4706963 0.92 IDH1 (0.40) RORBRORCPTGER4TACR1GPBAR1
SCHEMBL4638005 0.86 GPBAR1 (0.40) TACR1GPBAR1GRM2IDH1
SCHEMBL14279252 0.84 RORB (0.35) RORBRORCMAPK1PTGER4TACR1
SCHEMBL4639414 0.83 MAPK1 (0.36) RORBRORCMAPK1TACR1GPBAR1
SCHEMBL4708724 0.82 MEN1 (0.34) RORBRORCTACR1KMT2A
SCHEMBL4637881 0.82 RORB (0.37) RORBRORCMAPK1TACR1GPBAR1
Tradipitant SCHEMBL2898629 0.82 RORB (0.42) RORBRORCMAPK1TACR1CDC7
Tradipitant SCHEMBL29810017 0.82 RORB (0.42) RORBRORCMAPK1TACR1CDC7
SCHEMBL4708172 0.82 RORB (0.46) RORBRORCMAPK1TACR1GPBAR1
SCHEMBL4705403 0.82 RORB (0.41) RORBRORCMAPK1GPBAR1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US claimed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP claimed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US claimed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP claimed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO claimed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 RORB 2614/4885RORC 2723/4885MAPK1 559/4885

“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.