Butylamine

Butylamine

SCHEMBL6014457

CCCC(C)c1ccccc1.CCCCN

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
HRH1 P35367 2/20 0.52
HTR2A P28223 2/20 0.52
SLC7A5 Q01650 1/20 0.49
RIPK1 Q13546 1/20 0.47
AOC3 Q16853 4/20 0.44
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.41
KIF11 P52732 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
Butylamine SCHEMBL6014499 0.93 TAAR1 (0.53) TAAR1HRH1HTR2ASLC7A5RIPK1
SCHEMBL190949 0.86 RIPK1 (0.59) TAAR1RIPK1AOC3TRPA1
Butylamine SCHEMBL9108736 0.85 HRH1 (0.67) TAAR1HRH1HTR2ASLC7A5AOC3
SCHEMBL2096805 0.84 HRH1 (0.65) TAAR1HRH1HTR2ASLC7A5RIPK1
Hydrogen Peroxide SCHEMBL2352060 0.84 RIPK1 (0.57) TAAR1RIPK1AOC3TRPA1
Ammonia Solution, Strong SCHEMBL6014394 0.84 RIPK1 (0.57) TAAR1RIPK1AOC3TRPA1
SCHEMBL3428511 0.82 TAAR1 (0.59) TAAR1HRH1HTR2ASLC7A5RIPK1
SCHEMBL14387157 0.82 TAAR1 (0.59) TAAR1HRH1HTR2ASLC7A5RIPK1
SCHEMBL190051 0.82 RIPK1 (0.55) TAAR1RIPK1AOC3TRPA1POLB
SCHEMBL14459040 0.81 TAAR1 (0.57) TAAR1HRH1HTR2ASLC7A5RIPK1

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 2085/4885HRH1 1821/4885HTR2A 2034/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885HRH1 1821/4885HTR2A 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.