SCHEMBL6014398

SCHEMBL6014398

CC(CCC#CN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
RIPK1 Q13546 1/20 0.50
AOC3 Q16853 2/20 0.47
TRPA1 O75762 3/20 0.43
HRH1 P35367 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
SCHEMBL9768615 0.83 TAAR1 (0.53) TAAR1RIPK1AOC3HRH1
SCHEMBL6014574 0.82 TAAR1 (0.54) TAAR1RIPK1AOC3TRPA1
SCHEMBL6280516 0.78 RIPK1 (0.67) TAAR1RIPK1AOC3TRPA1
SCHEMBL18245256 0.78 TAAR1 (0.54) TAAR1RIPK1AOC3TRPA1HRH1
SCHEMBL9921646 0.78 TAAR1 (0.54) TAAR1RIPK1AOC3TRPA1
SCHEMBL5969880 0.78 TAAR1 (0.54) TAAR1RIPK1AOC3TRPA1
SCHEMBL5213988 0.75 RIPK1 (0.64) TAAR1RIPK1AOC3TRPA1
Lithium SCHEMBL30777534 0.75 RIPK1 (0.64) TAAR1RIPK1AOC3TRPA1
SCHEMBL23336071 0.74 TAAR1 (0.67) TAAR1RIPK1AOC3TRPA1HRH1
SCHEMBL5791734 0.74 TAAR1 (0.67) TAAR1RIPK1AOC3TRPA1HRH1

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
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 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 (2 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885RIPK1 4392/4885AOC3 1716/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885RIPK1 4392/4885AOC3 1716/4885

“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.