Sugi Predict

Sugi Predict / Compounds / SCHEMBL6014502

SCHEMBL6014502

SCHEMBL6014502

CC(CC#CCN)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.57
▸ GRM5 P41594 1/20 0.49
▸ AOC3 Q16853 2/20 0.47
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ TRPA1 O75762 3/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41

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
SCHEMBL6014574 0.82 TAAR1 (0.54) TAAR1GRM5AOC3HTR2ATRPA1
SCHEMBL6063975 0.78 TAAR1 (0.50) TAAR1GRM5AOC3HTR2ATRPA1
SCHEMBL18244887 0.78 GRM5 (0.50) TAAR1GRM5AOC3HTR2ATRPA1
SCHEMBL3657153 0.74 TAAR1 (0.46) TAAR1GRM5AOC3HTR2ATRPA1
SCHEMBL6014619 0.73 TAAR1 (0.48) TAAR1AOC3CYP1A2CYP3A4CYP2C9
SCHEMBL240503 0.73 TAAR1 (1.00) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL238388 0.73 TAAR1 (1.00) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL2107 0.73 TAAR1 (1.00) TAAR1AOC3HTR2ATRPA1RIPK1
SCHEMBL703312 0.72 TAAR1 (0.52) TAAR1GRM5AOC3CYP3A4CYP2C19
SCHEMBL18244911 0.72 TAAR1 (0.52) TAAR1GRM5AOC3TRPA1RIPK1

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 2085/4885GRM5 3182/4885AOC3 1716/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885GRM5 3182/4885AOC3 1716/4885

“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.