Butylbenzyl

Butylbenzyl

SCHEMBL6014428

CCCCc1ccccc1.NCc1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.61
MAOA P21397 1/20 0.56
HTR2A P28223 4/20 0.54
KCNH2 Q12809 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
CYP2A6 P11509 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
AOC3 Q16853 1/20 0.48

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
Benzylamine SCHEMBL6014546 0.92 HTR2A (0.62) LOXL2MAOAHTR2AKCNH2SIGMAR1
Butylbenzyl SCHEMBL27747950 0.89 HTR2A (0.48) LOXL2MAOAHTR2AKCNH2SIGMAR1
Butylbenzyl SCHEMBL8976812 0.89 MAOA (0.64) LOXL2MAOAHTR2AKCNH2SIGMAR1
Benzylamine SCHEMBL9427395 0.89 LOXL2 (0.70) LOXL2HTR2AKCNH2SIGMAR1SMN1; SMN2
SCHEMBL394855 0.89 HTR2A (0.61) HTR2ASMN1; SMN2CHRM2ADRA2ACHRM1
Benzylamine SCHEMBL3230820 0.89 LOXL2 (0.70) LOXL2MAOAHTR2ASIGMAR1CYP2A6
Butylbenzyl SCHEMBL27699289 0.89 MAOA (0.56) MAOAHTR2AKCNH2SIGMAR1CHRM2
Butylbenzyl SCHEMBL16051 0.89 SIGMAR1 (0.59) MAOAKCNH2SIGMAR1CHRM2HTR1A
Butylbenzyl SCHEMBL3229215 0.89 SIGMAR1 (0.59) MAOAKCNH2SIGMAR1CHRM2HTR1A
Butylbenzyl SCHEMBL22716183 0.89 SIGMAR1 (0.59) MAOAKCNH2SIGMAR1CHRM2HTR1A

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 LOXL2 3295/4885MAOA 297/4885HTR2A 2034/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 LOXL2 3295/4885MAOA 297/4885HTR2A 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.