SCHEMBL6014501

SCHEMBL6014501

CC(N)CCC(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.58
RIPK1 Q13546 1/20 0.55
AOC3 Q16853 2/20 0.52
TRPA1 O75762 3/20 0.52
SLC6A2 P23975 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6280516 0.88 RIPK1 (0.67) TAAR1RIPK1AOC3TRPA1SLC6A2
SCHEMBL5213988 0.85 RIPK1 (0.64) TAAR1RIPK1AOC3TRPA1SLC6A2
Lithium SCHEMBL30777534 0.85 RIPK1 (0.64) TAAR1RIPK1AOC3TRPA1SLC6A2
SCHEMBL26236051 0.84 TAAR1 (0.56) TAAR1RIPK1AOC3TRPA1
SCHEMBL8033824 0.81 RIPK1 (0.59) TAAR1RIPK1AOC3TRPA1SLC6A2
SCHEMBL6681320 0.81 RIPK1 (0.59) TAAR1RIPK1AOC3TRPA1
SCHEMBL23583472 0.80 TAAR1 (0.56) TAAR1RIPK1AOC3TRPA1
SCHEMBL1832660 0.79 TRPA1 (0.53) TAAR1RIPK1AOC3TRPA1ADRA2A
SCHEMBL13066964 0.79 TAAR1 (0.50) TAAR1RIPK1AOC3TRPA1
SCHEMBL8235394 0.79 TRPA1 (0.70) TAAR1RIPK1AOC3TRPA1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220102660-A1 DEFECT SUPPRESSED METAL HALIDE PEROVSKITE LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING DIODE COMPRISING THE SAME SN DISPLAY CO., LTD. (KR) 2022-03-31 US disclosed
CN-113043690-A Metal-clad laminate and circuit board 日铁化学材料株式会社 2021-06-29 CN disclosed
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 (3 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
US-20220102660-A1 DEFECT SUPPRESSED METAL HALIDE PEROVSKITE LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING DIODE COMPRISING THE SAME AXIN2, CRY2, PER2 TAAR1 2723/4885RIPK1 4273/4885AOC3 2779/4885

“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.