SCHEMBL4638838

SCHEMBL4638838

CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GRM2 Q14416 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PTGER4 P35408 1/20 0.34
TACR1 P25103 5/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL4706975 0.91 HSP90AA1 (0.35) POLBHSP90AA1HSP90AB1GRM2HTT
SCHEMBL4759295 0.89 POLB (0.37) POLBCYP19A1HSP90AA1HSP90AB1HTT
SCHEMBL4705960 0.86 HSP90AA1 (0.33) POLBHSP90AA1HSP90AB1HTTL3MBTL1
SCHEMBL4708507 0.86 HSP90AA1 (0.34) POLBCYP19A1HSP90AA1HSP90AB1GRM2
SCHEMBL3669940 0.85 CYP19A1 (0.48) POLBALDH1A1CYP19A1GRM2
SCHEMBL4707683 0.82 HSP90AA1 (0.35) POLBHSP90AA1HSP90AB1HTTL3MBTL1
SCHEMBL3673183 0.81 CDC7 (0.48) GRM2NR1H2NR1H3PTGER4
SCHEMBL4295553 0.80 CDC7 (0.46) CYP19A1GRM2
SCHEMBL4707593 0.80 P2RX7 (0.36) CYP19A1HSP90AA1HSP90AB1
SCHEMBL4708592 0.79 HSP90AA1 (0.33) POLBHSP90AA1HSP90AB1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 POLB 4843/4885ALDH1A1 1988/4885GAA 1920/4885

“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.