SCHEMBL4707683

SCHEMBL4707683

CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GABRA2 P47869 6/20 0.34
GABRB2 P47870 6/20 0.34
GABRB3 P28472 5/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKR1C3 P42330 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.30
TP53 P04637 1/20 0.30
ADORA2B P29275 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
KCNH2 Q12809 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL4708592 0.85 HSP90AA1 (0.33) HSP90AA1HSP90AB1GABRA2GABRB2POLB
SCHEMBL4708607 0.83 GABRA2 (0.35) HSP90AA1HSP90AB1GABRA2GABRB2
SCHEMBL4638838 0.82 POLB (0.38) HSP90AA1HSP90AB1POLBHTTL3MBTL1
SCHEMBL4706975 0.81 HSP90AA1 (0.35) HSP90AA1HSP90AB1GABRA2GABRB2POLB
SCHEMBL4705960 0.81 HSP90AA1 (0.33) HSP90AA1HSP90AB1GABRA2GABRB2POLB
SCHEMBL4804309 0.80 PAX8 (0.35) HSP90AA1HSP90AB1GABRA2GABRB2POLB
SCHEMBL4708507 0.79 HSP90AA1 (0.34) HSP90AA1HSP90AB1POLBL3MBTL1SMN1; SMN2
SCHEMBL4707593 0.79 P2RX7 (0.36) HSP90AA1HSP90AB1GABRA2GABRB2GABRB3
SCHEMBL4292592 0.78 GRM2 (0.41)
SCHEMBL4759295 0.78 POLB (0.37) HSP90AA1HSP90AB1POLBHTTL3MBTL1

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 3 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
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

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 HSP90AA1 2440/4885HSP90AB1 2178/4885GABRA2 432/4885

“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.