SCHEMBL5797387

SCHEMBL5797387

CCOC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.57
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
ALOX12 P18054 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4637752 0.86 CYP19A1 (0.74) CYP19A1ALDH1A1GAAMAPTTP53
SCHEMBL5797524 0.86 ALDH1A1 (0.50) CYP19A1TACR1ALDH1A1GAAMAPT
SCHEMBL4638906 0.82 CYP19A1 (0.49) CYP19A1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL4639420 0.81 CYP19A1 (0.60) CYP19A1MAPTSMN1; SMN2CACNA1BAPBA1
SCHEMBL6071984 0.81 CYP19A1 (0.52) CYP19A1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL4637748 0.80 CYP19A1 (0.48) CYP19A1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL4637833 0.80 CYP19A1 (0.59) CYP19A1ALDH1A1MAPTSMN1; SMN2CACNA1B
SCHEMBL4637791 0.79 CYP19A1 (0.47) CYP19A1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL4638479 0.78 ALDH1A1 (0.46) CYP19A1TACR1ALDH1A1GAAGRM2
SCHEMBL5797501 0.77 CYP19A1 (0.46) CYP19A1ALDH1A1MAPTTP53SMN1; SMN2

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 2652/4885TACR1 1/4885ALDH1A1 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.