SCHEMBL6014477

SCHEMBL6014477

CC(CCCNC1CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.50
RIPK1 Q13546 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN1 Q05586 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
AOC3 Q16853 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL3643057 0.77 SOS1 (0.77) SOS1HTR2AHRH1CYP3A4CYP2C19
SCHEMBL7351847 0.75 AOC3 (0.60) RIPK1HTR2AHRH1CYP3A4CYP2C19
SCHEMBL1808557 0.74 SOS1 (0.82) SOS1HTR2AHRH1GRIN2BGRIN1
SCHEMBL4172190 0.74 SOS1 (0.44) SOS1HTR2AHRH1GRIN2BGRIN1
SCHEMBL10574503 0.74 SOS1 (0.42) SOS1ALDH1A1TAAR1
SCHEMBL13687233 0.74 BACE1 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL9846075 0.72 HTR2A (0.63) RIPK1HTR2AHRH1CYP3A4CYP2C19
SCHEMBL5543392 0.71 HTR2A (0.44) RIPK1HTR2AHRH1CYP3A4HPGD
SCHEMBL5543402 0.71 HTR2A (0.44) RIPK1HTR2AHRH1CYP3A4HPGD
SCHEMBL6280516 0.71 RIPK1 (0.67) RIPK1TAAR1AOC3SLC6A2SLC6A4

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 SOS1 2974/4885RIPK1 4392/4885HTR2A 2034/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SOS1 2974/4885RIPK1 4392/4885HTR2A 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.