SCHEMBL6014630

SCHEMBL6014630

COCC(CN)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
SLC6A2 P23975 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
EPHX1 P07099 1/20 0.43
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LAP3 P28838 1/20 0.41
SCN4A P35499 2/20 0.40
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL18489459 0.88 SIGMAR1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL12459378 0.88 SIGMAR1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL11992709 0.82 TRPA1 (0.44) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL516032 0.81 EPHX1 (0.56) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL6563096 0.81 EPHX1 (0.56) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL22856977 0.81 SIGMAR1 (0.41) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL18867297 0.81 TRPA1 (0.50) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL10544395 0.79 SCN4A (0.47) TAAR1SIGMAR1MAOAEPHX1CYP2D6
SCHEMBL9342651 0.79 ALDH1A1 (0.43) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL27190810 0.78 SIGMAR1 (0.38) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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 2085/4885SLC6A2 4433/4885SIGMAR1 1287/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885SLC6A2 4433/4885SIGMAR1 1287/4885

“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.