SCHEMBL4707417

SCHEMBL4707417

OCCc1nnc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2ccccc2)n1Cc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
CDC7 O00311 4/20 0.35
MAP4K4 O95819 3/20 0.35
PIM1 P11309 3/20 0.35
PRKACA P17612 3/20 0.35
CDK2 P24941 3/20 0.35
GSK3B P49841 3/20 0.35
HIPK2 Q9H2X6 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAPK3 O43293 2/20 0.34
ROCK2 O75116 2/20 0.34

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
SCHEMBL4707480 0.93 GRM2 (0.38) GRM2SLC16A3SLC16A1MCTS1CDC7
SCHEMBL4707206 0.87 TACR1 (0.37) GRM2SLC16A3SLC16A1MCTS1CDC7
SCHEMBL4705832 0.87 GRM2 (0.38) GRM2SLC16A3SLC16A1MCTS1CDC7
SCHEMBL4707214 0.87 CDC7 (0.39) GRM2SLC16A3SLC16A1MCTS1CDC7
SCHEMBL4707141 0.86 SMN1; SMN2 (0.34) GRM2SLC16A3SLC16A1MCTS1ALDH1A1
SCHEMBL4706125 0.85 CYP19A1 (0.42) SLC16A3SLC16A1MCTS1ALDH1A1IDO1
SCHEMBL4707968 0.85 CYP2A13 (0.40) SLC16A3SLC16A1MCTS1CDC7ALDH1A1
SCHEMBL4708151 0.84 SLC16A3 (0.36) GRM2SLC16A3SLC16A1MCTS1CDC7
SCHEMBL4708164 0.84 IDO1 (0.36) GRM2SLC16A3SLC16A1MCTS1CDC7
SCHEMBL4707898 0.84 SLC16A3 (0.36) GRM2SLC16A3SLC16A1MCTS1CDC7

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-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
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
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 GRM2 2864/4885SLC16A3 345/4885SLC16A1 167/4885

“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.