SCHEMBL4804309

SCHEMBL4804309

CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
CETP P11597 2/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRA2 P47869 3/20 0.31
GABRB2 P47870 3/20 0.31
CASP1 P29466 1/20 0.31
CASP5 P51878 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31
DPP4 P27487 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
HPGD P15428 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
SCHEMBL4707683 0.80 HSP90AA1 (0.35) SMN1; SMN2POLBGABRA2GABRB2HSP90AA1
SCHEMBL4708607 0.77 GABRA2 (0.35) GABRA2GABRB2DPP4HSP90AA1HSP90AB1
SCHEMBL4708592 0.77 HSP90AA1 (0.33) POLBGABRA2GABRB2HSP90AA1HSP90AB1
SCHEMBL4706730 0.75 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBCETPALDH1A1
SCHEMBL4638838 0.74 POLB (0.38) ALDH1A1POLBHSP90AA1HSP90AB1
SCHEMBL4708291 0.74 HPGD (0.39) CETPALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4705960 0.73 HSP90AA1 (0.33) POLBGABRA2GABRB2HSP90AA1HSP90AB1
SCHEMBL4706975 0.73 HSP90AA1 (0.35) SMN1; SMN2POLBGABRA2GABRB2HSP90AA1
SCHEMBL4707593 0.73 P2RX7 (0.36) GABRA2GABRB2HSP90AA1HSP90AB1
SCHEMBL4708507 0.73 HSP90AA1 (0.34) SMN1; SMN2POLBHSP90AA1HSP90AB1

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 4 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-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 PAX8 2967/4885PIK3CD 1156/4885PIK3CA 1417/4885

“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.