SCHEMBL4706730

SCHEMBL4706730

O=Cc1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
CASP1 P29466 1/20 0.34
CASP5 P51878 1/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
CETP P11597 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TACR1 P25103 1/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 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
SCHEMBL4708366 0.86 CASP1 (0.35) PIK3CDPIK3CAPIK3CBALDH1A1LMNA
SCHEMBL4708291 0.81 HPGD (0.39) ALDH1A1LMNASMN1; SMN2HIF1AKDM4E
SCHEMBL4708213 0.79 USP2 (0.44) ALDH1A1LMNASMN1; SMN2HIF1A
SCHEMBL4638624 0.75 HSP90AA1 (0.38) CASP1CASP5HSP90AA1HSP90AB1
SCHEMBL4804309 0.75 PAX8 (0.35) PIK3CDPIK3CAPIK3CBALDH1A1LMNA
SCHEMBL4705752 0.74 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HIF1AEPAS1CNR2
SCHEMBL4638013 0.71 ALDH1A1 (0.44) ALDH1A1HSP90AA1HSP90AB1TACR1
SCHEMBL4708394 0.70 RXFP1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTHSP90AA1
SCHEMBL4637764 0.70 HSP90AA1 (0.39) ALDH1A1SMN1; SMN2HIF1AHSP90AA1HSP90AB1
SCHEMBL5797687 0.70 CASP1 (0.43) ALDH1A1SMN1; SMN2HIF1ACASP1CASP5

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 PIK3CD 1156/4885PIK3CA 1417/4885PIK3CB 1322/4885

“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.