SCHEMBL4638558

SCHEMBL4638558

C[Si](C)(C)C(=O)C#Cc1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41
CYP19A1 P11511 2/20 0.39
PTGER4 P35408 3/20 0.39
PTGER3 P43115 1/20 0.39
TACR1 P25103 8/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL4637822 0.87 ALDH1A1 (0.43) ALDH1A1GAATSHRCYP19A1PTGER4
SCHEMBL4637770 0.83 ADORA3 (0.46) ALDH1A1GAAPTGER4AKR1C3AKR1C2
SCHEMBL4638478 0.83 ADORA3 (0.41) ALDH1A1GAATSHRCYP19A1PTGER4
SCHEMBL4637820 0.83 GAA (0.40) ALDH1A1GAATSHRCYP19A1PTGER4
SCHEMBL4638051 0.83 ALDH1A1 (0.39) ALDH1A1GAATSHRCYP19A1PTGER4
SCHEMBL4638520 0.80 ALDH1A1 (0.44) ALDH1A1GAATSHRCYP19A1TACR1
SCHEMBL4638563 0.78 ALDH1A1 (0.47) ALDH1A1GAATSHRCYP19A1PTGER4
SCHEMBL4638473 0.77 ALDH1A1 (0.65) ALDH1A1GAATSHRCYP19A1PTGER4
SCHEMBL4637811 0.77 GRM2 (0.36) ALDH1A1GAATSHRPTGER4PTGER3
SCHEMBL4637826 0.77 ALDH1A1 (0.47) ALDH1A1GAATSHRCYP19A1PTGER4

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 5 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
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 ALDH1A1 1988/4885GAA 1920/4885TSHR 337/4885

“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.