SCHEMBL4706963

SCHEMBL4706963

CC(C)(O)c1onc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2cccnc2)c1C(=O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
RORB Q92753 7/20 0.34
RORC P51449 4/20 0.34
GPBAR1 Q8TDU6 4/20 0.33
PTGER4 P35408 2/20 0.33
CRHR1 P34998 1/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
SLC2A4 P14672 1/20 0.32
P2RX7 Q99572 1/20 0.32
TACR1 P25103 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4706505 0.92 RORB (0.35) IDH1RORBRORCGPBAR1PTGER4
SCHEMBL4637782 0.86 IDH1 (0.42) IDH1GPBAR1CRHR1P2RX7
SCHEMBL4707403 0.84 IDH1 (0.42) IDH1RORBRORCGPBAR1CRHR1
SCHEMBL4706229 0.83 IDH1 (0.44) IDH1RORBRORCGPBAR1CRHR1
SCHEMBL6389497 0.83 IDH1 (0.42) IDH1RORBRORCGPBAR1CRHR1
SCHEMBL4638539 0.83 IDH1 (0.40) IDH1RORCGPBAR1CRHR1P2RX7
SCHEMBL4708052 0.82 IDH1 (0.41) IDH1RORBRORCGPBAR1
SCHEMBL4707706 0.82 IDH1 (0.42) IDH1RORBRORCGPBAR1PTGER4
SCHEMBL4705371 0.82 IDH1 (0.43) IDH1RORBRORCGPBAR1CRHR1
SCHEMBL4707863 0.81 IDH1 (0.44) IDH1RORBRORCGPBAR1CRHR1

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 IDH1 1082/4885RORB 2614/4885RORC 2723/4885

“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.