Benzylamine

Benzylamine

SCHEMBL6014546

CCCCCCc1ccccc1.NCc1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.62
KCNH2 Q12809 1/20 0.61
MAOA P21397 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.56
SIGMAR1 Q99720 3/20 0.53
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52

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
Butylbenzyl SCHEMBL6014428 0.92 LOXL2 (0.61) HTR2AKCNH2MAOALOXL2SIGMAR1
Tetradecane SCHEMBL27900388 0.92 LOXL2 (0.67) HTR2AKCNH2LOXL2SIGMAR1TP53
Ethylenediamine SCHEMBL28895391 0.90 HTR2A (0.70) HTR2AKCNH2MAOALOXL2SIGMAR1
Propylamine SCHEMBL8977021 0.90 HTR2A (0.70) HTR2AKCNH2MAOALOXL2SIGMAR1
Benzylamine SCHEMBL28095934 0.90 HTR2A (0.53) HTR2AKCNH2MAOALOXL2SIGMAR1
SCHEMBL395308 0.90 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL394553 0.90 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL29038707 0.90 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL2674306 0.90 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL393623 0.90 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2

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 HTR2A 2034/4885KCNH2 3759/4885MAOA 297/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 HTR2A 2034/4885KCNH2 3759/4885MAOA 297/4885

“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.