SCHEMBL6014436

SCHEMBL6014436

CC(C=CCN)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
TRPA1 O75762 3/20 0.44
HTR2A P28223 1/20 0.43
LMNA P02545 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HRH1 P35367 1/20 0.40
AOC3 Q16853 3/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL6014433 1.00 TAAR1 (0.48) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL691655 0.81 TRPA1 (0.47) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL691654 0.81 TRPA1 (0.47) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL2170476 0.79 TRPA1 (0.53) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL10892838 0.79 TRPA1 (0.44) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL16167538 0.79 TRPA1 (0.44) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL96995 0.79 TRPA1 (0.44) TAAR1TRPA1LMNAADRA2AADRA2C
SCHEMBL19752442 0.79 TRPA1 (0.44) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL16167537 0.79 TRPA1 (0.44) TAAR1TRPA1HTR2ALMNAADRA2A
SCHEMBL96994 0.79 TRPA1 (0.44) TAAR1TRPA1LMNAADRA2AADRA2C

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 4 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
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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 (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 2085/4885TRPA1 2180/4885HTR2A 2034/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885TRPA1 2180/4885HTR2A 2034/4885

“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.