SCHEMBL5797501

SCHEMBL5797501

CCOC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4637748 0.87 CYP19A1 (0.48) CYP19A1MAPTALDH1A1KDM4EMEN1
SCHEMBL5793833 0.87 CYP19A1 (0.43) CYP19A1MAPTALDH1A1KDM4EMEN1
SCHEMBL4637791 0.86 CYP19A1 (0.47) CYP19A1MAPTALDH1A1KDM4EMEN1
SCHEMBL5797506 0.86 AKR1C3 (0.45) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL4638906 0.85 CYP19A1 (0.49) CYP19A1MAPTALDH1A1KDM4EMEN1
SCHEMBL4637752 0.81 CYP19A1 (0.74) CYP19A1MAPTALDH1A1MEN1KMT2A
SCHEMBL4639420 0.80 CYP19A1 (0.60) CYP19A1MAPTKDM4EMEN1LMNA
SCHEMBL1412496 0.79 CYP19A1 (0.55) CYP19A1MAPTALDH1A1KDM4EMEN1
SCHEMBL5797387 0.77 CYP19A1 (0.57) CYP19A1MAPTALDH1A1KDM4EMEN1
SCHEMBL6071984 0.77 CYP19A1 (0.52) CYP19A1MAPTALDH1A1KDM4EMEN1

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-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 CYP19A1 2652/4885MAPT 3578/4885ALDH1A1 1815/4885

“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.