SCHEMBL6014454

SCHEMBL6014454

CC(C[CH]CN)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.59
AOC3 Q16853 2/20 0.48
HTR2A P28223 2/20 0.43
TRPA1 O75762 4/20 0.42
RIPK1 Q13546 1/20 0.42
HRH1 P35367 1/20 0.40

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
SCHEMBL6014640 0.82 TAAR1 (0.57) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL6014643 0.82 TAAR1 (0.57) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL6600900 0.81 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1
SCHEMBL7755851 0.80 HTR2A (0.54) TAAR1HTR2AHRH1
SCHEMBL6014506 0.80 TAAR1 (0.55) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL11527253 0.78 TAAR1 (0.47) TAAR1AOC3TRPA1RIPK1
SCHEMBL6372344 0.78 TAAR1 (0.47) TAAR1AOC3TRPA1RIPK1
SCHEMBL2372932 0.76 TAAR1 (0.54) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL6014399 0.75 TAAR1 (0.54) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL6014403 0.75 TAAR1 (0.54) TAAR1AOC3HTR2ATRPA1RIPK1

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 2085/4885AOC3 1716/4885HTR2A 2034/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885AOC3 1716/4885HTR2A 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.