SCHEMBL6014619

SCHEMBL6014619

CC(C#CCN)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HTR2A P28223 3/20 0.43
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HRH1 P35367 2/20 0.40
AOC3 Q16853 2/20 0.39
LMNA P02545 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL9303811 0.79 MIF (0.44) TAAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL18245682 0.79 TAAR1 (0.39) TAAR1HTR2AHRH1AOC3LMNA
SCHEMBL6014617 0.78 TAAR1 (0.44) TAAR1HTR2AAOC3LMNAADRA2A
SCHEMBL17288649 0.78 TAAR1 (0.38) TAAR1HTR2AHRH1AOC3LMNA
SCHEMBL6014502 0.73 TAAR1 (0.57) TAAR1CYP1A2CYP3A4CYP2C9CYP2C19
Butane SCHEMBL10599683 0.73 KCNH2 (0.41) TAAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26210808 0.73 MIF (0.40) TAAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL17802435 0.72 SIGMAR1 (0.50) TAAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2477572 0.72 SIGMAR1 (0.50) TAAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL168226 0.71 ADRA2C (0.41) TAAR1CYP3A4CYP2C9CYP2C19THPO

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 2085/4885CYP1A2 32/4885CYP3A4 95/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885CYP1A2 32/4885CYP3A4 95/4885

“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.