Benzylamine

Benzylamine

SCHEMBL3188490

NC(N)=O.NCc1ccccc1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.74
TSHR P16473 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
TAAR1 Q96RJ0 2/20 0.54
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ENPP2 Q13822 1/20 0.50
AKR1B1 P15121 1/20 0.50
EPHX1 P07099 1/20 0.47
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46

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 SCHEMBL3891720 0.95 LOXL2 (0.74) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL2841170 0.92 LOXL2 (0.78) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL2841167 0.92 LOXL2 (0.78) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL6429492 0.90 LOXL2 (0.74) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL8464909 0.90 LOXL2 (0.74) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL25352130 0.90 LOXL2 (0.74) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL9567530 0.90 LOXL2 (0.74) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL27810067 0.89 LOXL2 (0.58) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL27781209 0.89 LOXL2 (0.93) LOXL2TSHRCYP2C19CYP1A2CYP2D6
Benzylamine SCHEMBL20593186 0.87 LOXL2 (0.70) LOXL2TSHRCYP2C19CYP1A2CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929340-A Proline boric acid compound and its preparation method and application 北京大学 2018-12-04 CN disclosed
CN-106588965-A Urea peptidomimetic boric acid compound as well as pharmaceutical composition, preparation method and application thereof 北京大学 2017-04-26 CN disclosed
US-7662960-B2 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-02-16 US disclosed
EP-1646633-B1 BETA-STRAND MIMETICS CHOONGWAE PHARMA CORP (KR) 2009-04-15 EP disclosed
CN-1802378-A Beta-strand mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2006-07-12 CN disclosed
EP-1646633-A1 BETA-STRAND MIMETICS AND METHOD RELATING THERETO Choongwae Pharma Corporation (KR) 2006-04-19 EP disclosed
WO-2004108731-A1 BETA-STRAND MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2004-12-16 WO disclosed
US-20040053331-A1 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2004-03-18 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 (1 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-20040053331-A1 Beta-strand mimetics and method relating thereto BIRC5, BIRC7, XIAP LOXL2 3477/4885TSHR 3687/4885CYP2C19 4885/4885

“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.